LE 135
Also known as 4-(5,7,7,10,10-pentamethyl-8,9-dihydronaphtho[2,3-b][1, 4]benzodiazepin-13-yl)benzoic acid, 4-(5,7,7,10,10-pentamethyl-8,9-dihydronaphtho(2,3-b)(1, 4)benzodiazepin-13-yl)benzoic acid, 4-(5,7,7,10,10-pentamethyl-8,9-dihydronaphtho[2,3-b][1,4]benzodiazepin-13-yl)benzoic acid
Key facts
What buyers check first
- CAS number
- 155877-83-1
- Formula
- C29H30N2O2
- Molar mass
- 438.57 g/mol
- EC number
- 806-164-7
- HS code
- 293399
- Category
- Screening compounds
What is LE 135?
Plain description, key identifiers and synonyms
4-(5,7,7,10,10-pentamethyl-8,9-dihydronaphtho[2,3-b][1,4]benzodiazepin-13-yl)benzoic acid is a dibenzodiazepine.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 4-(5,7,7,10,10-pentamethyl-8,9-dihydronaphtho[2,3-b][1,4]benzodiazepin-13-yl)benzoic acid
- CAS number
- 155877-83-1 CAS number cross-checked
- EC number
- 806-164-7
- Molecular formula
- C29H30N2O2
- UNII
- F6JGS45CSP
- MDL number
- MFCD06798318
- InChIKey
- YZZAIQOVMHVWBS-UHFFFAOYSA-N
- InChI
- InChI=1S/C29H30N2O2/c1-28(2)14-15-29(3,4)22-17-25-23(16-21(22)28)30-26(18-10-12-19(13-11-18)27(32)33)20-8-6-7-9-24(20)31(25)5/h6-13,16-17H,14-15H2,1-5H3,(H,32,33)
- SMILES (canonical and isomeric)
- CC1(CCC(C2=CC3=C(C=C21)N=C(C4=CC=CC=C4N3C)C5=CC=C(C=C5)C(=O)O)(C)C)C
Synonyms
- 4-(5,7,7,10,10-pentamethyl-8,9-dihydronaphtho[2,3-b][1, 4]benzodiazepin-13-yl)benzoic acid
- 4-(5,7,7,10,10-pentamethyl-8,9-dihydronaphtho(2,3-b)(1, 4)benzodiazepin-13-yl)benzoic acid
- 4-(5,7,7,10,10-pentamethyl-8,9-dihydronaphtho[2,3-b][1,4]benzodiazepin-13-yl)benzoic acid
- 4-(5,7,7,10,10-Pentamethyl-7,8,9,10-tetrahydro-5H-benzo[e]naphtho[2,3-b][1,4]diazepin-13-yl)benzoic acid
- 4-(7,8,9,10-Tetrahydro-5,7,7,10,10-pentamethyl-5H-benzo[e]naphtho[2,3-b][1,4]diazepin-13-yl)benzoic acid
- Benzoic acid, 4-(7,8,9,10-tetrahydro-5,7,7,10,10-pentamethyl-5H-benzo[e]naphtho[2,3-b][1,4]diazepin-13-yl)-
- 4-(5,7,7,10,10-Pentamethyl-7,8,9,10-tetrahydro-5H-5,12-diaza-benzo[4,5]cyclohepta[1,2-b]naphthalen-13-yl)-benzoic acid
- LE-135?
- ST 24:1
- 4-(5H-7,8,9,10-tetrahydro-5,7,7,10,10-pentamethylbenzo(e)naphtho(2,3-b)(1,4)diazepin-13-yl)benzoic acid
- 4-(5,7,7,10,10-Pentamethyl-7,8,9,10-tetrahydro-5H-benzo[e]naphtho[2,3-b][1,4]diazepin-13-yl)benzoicacid
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 438.57 g/molcalc.Computed value |
|---|---|
| Exact mass | 438.2307 Dacalc.Computed value |
| LogP (octanol/water) | 6.98calc.Computed value |
| Topological polar surface area | 52.9 Ųcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 3calc.Computed value |
| Rotatable bonds | 2calc.Computed value |
| Heavy atoms | 33calc.Computed value |
| Rings | 5calc.Computed value |
| Aromatic rings | 3calc.Computed value |
| Fraction sp3 carbons | 0.31calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (1 violation)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
Safety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H315Causes skin irritation.
- H319Causes serious eye irritation.
Precautionary statements (9)
- P264Wash skin thoroughly after handling.
- P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P302 + P352If on skin: Wash with plenty of water.
- P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
- P321Specific treatment (see supplemental first aid instructions on the label).
- P332 + P317If skin irritation occurs: Get medical help.
- P337 + P317If eye irritation persists: Get medical help.
- P362 + P364Take off contaminated clothing. And wash it before reuse.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aidLE 135 suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- China, ShanghaiUnclaimed profileLE 135Grade, purity and minimum order on requestPrice on request
- Price on request
- China, GuangzhouUnclaimed profileLE 135Grade, purity and minimum order on requestPrice on request
Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.
Where suppliers are based
3 suppliers in 2 countries
Send one request to many suppliers
Choose up to 10 suppliers or let us match your request. Compare quotes side by side, free.
LE 135 price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code LE 135 is traded under.
Heterocyclic compounds with nitrogen hetero-atom(s) only, other
- Slovenia31.7%
- Italy24.2%
- United States5.0%
* Partner reported figures, a lower bound.
The HS code shown for LE 135 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Related chemicals
Parent and salt forms, stereoisomers, similar structures and isomers
Similar structures
Nearest neighbours by Morgan fingerprint Tanimoto similarity
Same formula isomers
Different compounds that share this molecular formula
![1(3H)-Isobenzofuranone, 3-[4-(diethylamino)phenyl]-3-(1-ethyl-2-methyl-1H-indol-3-yl)- chemical structure, C29H30N2O2, CAS 75805-17-3](/s/HOUWRQXIBSGOHF-UHFFFAOYSA-N.svg)
![2,3,9,9-Tetramethyl-6-(3-phenoxyphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one chemical structure, C29H30N2O2, CAS 330958-07-1](/s/WWSSKWKAQOULIF-UHFFFAOYSA-N.svg)
![6-(2-Butoxyphenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one chemical structure, C29H30N2O2, CAS 296247-46-6](/s/FEAIPHNAYUBJNB-UHFFFAOYSA-N.svg)
![9-(2-Methylpropyl)-6-(3-phenoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one chemical structure, C29H30N2O2, CAS 946387-18-4](/s/BEFUWMVQNXRZDW-UHFFFAOYSA-N.svg)
![4-[2,6-Bis(2-ethoxyphenyl)-4-pyridyl]-N,N-dimethylaniline chemical structure, C29H30N2O2, CAS 170908-22-2](/s/KNKCKJLEAAAJQH-UHFFFAOYSA-N.svg)
![11-(4-Methoxyphenyl)-3-phenyl-10-propyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one chemical structure, C29H30N2O2, CAS 523992-41-8](/s/IVLPLGXVTUYFOW-UHFFFAOYSA-N.svg)
Frequently asked questions
Quick answers about LE 135, based on the data on this page
What is LE 135?
What is the CAS number of LE 135?
What is the molecular formula and weight of LE 135?
What is LE 135 used for?
Is LE 135 hazardous?
What is the HS code of LE 135?
Where can I buy LE 135?
What is the price of LE 135?
Guides for buyers
Practical guides that help when you source, ship or handle LE 135
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.Read
Get quotes for LE 135
Embed this structure on your websiteShow code
Paste this code into your page to show the 2D structure of LE 135 with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.
<iframe src="https://www.compoundlist.com/embed/structure/le-135-155877-83-1" title="LE 135 structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>Explore more in Screening compounds or HS code 293399