MX-69
Also known as 4-(8-(N-(3,4-dimethylphenyl)sulfamoyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)benzoic acid, 4-[8-[(3,4-dimethylphenyl)sulfamoyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid, 4-[8-[N-(3,4-Dimethylphenyl)sulfamoyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic Acid
Key facts
What buyers check first
- CAS number
- 1005264-47-0
- Formula
- C27H26N2O4S
- Molar mass
- 474.58 g/mol
- EC number
- 890-378-0
- HS code
- 293590
- Category
- Screening compounds
What is MX-69?
Plain description, key identifiers and synonyms
MX-69 is a chemical substance with the molecular formula C27H26N2O4S and a molar mass of 474.58 g/mol. Its CAS registry number is 1005264-47-0. The IUPAC name is 4-[8-[(3,4-dimethylphenyl)sulfamoyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 4-[8-[(3,4-dimethylphenyl)sulfamoyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid
- CAS number
- 1005264-47-0
- EC number
- 890-378-0
- Molecular formula
- C27H26N2O4S
- MDL number
- MFCD24858136
- InChIKey
- XCBONKHCCRJMNW-UHFFFAOYSA-N
- InChI
- InChI=1S/C27H26N2O4S/c1-16-6-11-20(14-17(16)2)29-34(32,33)21-12-13-25-24(15-21)22-4-3-5-23(22)26(28-25)18-7-9-19(10-8-18)27(30)31/h3-4,6-15,22-23,26,28-29H,5H2,1-2H3,(H,30,31)
- SMILES (canonical and isomeric)
- CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(C4C3C=CC4)C5=CC=C(C=C5)C(=O)O)C
Synonyms
- 4-(8-(N-(3,4-dimethylphenyl)sulfamoyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)benzoic acid
- 4-[8-[(3,4-dimethylphenyl)sulfamoyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid
- 4-[8-[N-(3,4-Dimethylphenyl)sulfamoyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic Acid
- MX69?
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 | 474.58 g/molcalc.Computed value |
|---|---|
| Exact mass | 474.1613 Dacalc.Computed value |
| LogP (octanol/water) | 5.63calc.Computed value |
| Topological polar surface area | 95.5 Ųcalc.Computed value |
| Hydrogen bond donors | 3calc.Computed value |
| Hydrogen bond acceptors | 4calc.Computed value |
| Rotatable bonds | 5calc.Computed value |
| Heavy atoms | 34calc.Computed value |
| Rings | 5calc.Computed value |
| Aromatic rings | 3calc.Computed value |
| Fraction sp3 carbons | 0.22calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 3calc.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
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)C1C=CCC1C(c1ccccc1)N2
5 rings, 29 atoms.
9 other chemicals share this scaffoldSafety 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 aidMX-69 suppliers
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MX-69 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 MX-69 is traded under.
Sulphonamides, other
- United States23.6%
- Slovenia19.1%
- Spain11.7%
* Partner reported figures, a lower bound.
The HS code shown for MX-69 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
![N-(3,4-Dimethylphenyl)-4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide chemical structure, C26H26N2O3S, CAS 1013790-64-1](/s/MQNTWTUZMXODAV-UHFFFAOYSA-N.svg)
![rel-4-(((3aR,4S,9bS)-4-(4-Nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline)-8-sulfonamido)benzoic acid chemical structure, C25H21N3O6S, CAS 1217641-06-9](/s/CAUHZNDABWGTCE-YZUZCNPQSA-N.svg)
![3H-Cyclopenta[c]quinoline-8-sulfonamide, N-(3-chloro-4-methylphenyl)-3a,4,5,9b-tetrahydro-4-(4-methylphenyl)-, (3aR,4S,9bS)-rel- chemical structure, C26H25ClN2O2S, CAS 1217656-14-8](/s/ZCLCBTOCHIPKCL-VVZHRXSXSA-N.svg)
![rel-4-((3aR,4S,9bS)-8-(N-(4-Chloro-2-methylphenyl)sulfamoyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)benzoic acid chemical structure, C26H23ClN2O4S, CAS 1217842-32-4](/s/XMSOHUHYGBUPGX-BPYKYCOYSA-N.svg)
![N-(3,4-Dimethylphenyl)-4-(3-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide chemical structure, C27H28N2O3S, CAS 1243825-51-5](/s/FDTUABQPSHVWGC-UHFFFAOYSA-N.svg)
![N-(3,4-Dimethylphenyl)-4-(2-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide chemical structure, C27H28N2O3S, CAS 1243735-37-6](/s/OZKXQTPPAAESTN-UHFFFAOYSA-N.svg)
![(3aR,9bS)-4-(4-Carboxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid chemical structure, C20H17NO4](/s/NOOGFRZLFMBLBG-DYNVDGSKSA-N.svg)
![(3aR,9bS)-4-(4-Carboxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid chemical structure, C20H17NO4, CAS 1013792-05-6](/s/NOOGFRZLFMBLBG-UHFFFAOYSA-N.svg)
![4-(3-Methylphenyl)-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide chemical structure, C25H24N2O2S, CAS 486991-41-7](/s/BFPNPUOQODBWAM-SGIRGMQISA-N.svg)
Same formula isomers
Different compounds that share this molecular formula
![2-[3-(Benzenesulfonyl)-6-ethyl-4-oxoquinolin-1-yl]-N-(2,5-dimethylphenyl)acetamide chemical structure, C27H26N2O4S, CAS 866864-68-8](/s/HFEWUTHZMYSAEW-UHFFFAOYSA-N.svg)
![2-[3-(4-tert-Butylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide chemical structure, C27H26N2O4S, CAS 866843-69-8](/s/WTFRFYUNXVRDTD-UHFFFAOYSA-N.svg)
![N-(6,7,8,9-Tetrahydrodibenzo[b,d]furan-2-yl)-N-((2,4,5-trimethylphenyl)sulfonyl)isonicotinamide chemical structure, C27H26N2O4S, CAS 518319-67-0](/s/KPCNSWZVKYCVSU-UHFFFAOYSA-N.svg)
![Ethyl 2-[[2-(4-ethoxyphenyl)-6-methylquinoline-4-carbonyl]amino]-5-methylthiophene-3-carboxylate chemical structure, C27H26N2O4S, CAS 438236-47-6](/s/HEUVBGJGJFVOJX-UHFFFAOYSA-N.svg)
![N-{4-[(Mesitylamino)sulfonyl]phenyl}-2-(2-naphthyloxy)acetamide chemical structure, C27H26N2O4S, CAS 431979-99-6](/s/RFPWCJCQXMNITM-UHFFFAOYSA-N.svg)
![Methyl 4-(4-butylphenyl)-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate chemical structure, C27H26N2O4S, CAS 444925-22-8](/s/UHBYGCMWLJTKNF-UHFFFAOYSA-N.svg)
![Ethyl 2-{(2E)-2-cyano-3-[2-(methylethoxy)phenyl]prop-2-enoylamino}-4-(4-methyl phenyl)thiophene-3-carboxylate chemical structure, C27H26N2O4S, CAS 465513-57-9](/s/OYMVUMJIYACSOP-KGENOOAVSA-N.svg)
Frequently asked questions
Quick answers about MX-69, based on the data on this page
What is MX-69?
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Guides for buyers
Practical guides that help when you source, ship or handle MX-69
- 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
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