Quinone S181
Also known as Dispiro(1,3-dioxolane-2,2'-(2H)naphth(2',1':4,5)oxireno(3a,4)indeno(2,1-b)furan-8'(7'H),2''-(2H)pyran), 7'H-Dispiro[[1,3]dioxolane-2,2'-naphtho[2',1':4,5]oxireno[3a,4]indeno[2,1-b]furan-8',2''-pyran], 7'H-Dispiro[1,3-dioxolane-2,2'-naphtho[2',1':4,5]oxireno[3a,4]indeno[2,1-b]furan-8',2''-pyran]
Key facts
What buyers check first
- CAS number
- 166-57-4
- Formula
- C25H18O5
- Molar mass
- 398.41 g/mol
- HS code
- 293299
- Category
- Steroids and sterols
What is Quinone S181?
Plain description, key identifiers and synonyms
Quinone S181 is a chemical substance with the molecular formula C25H18O5 and a molar mass of 398.41 g/mol. Its CAS registry number is 166-57-4.
Identifiers
Registry numbers, names and line notations, tap to copy
- CAS number
- 166-57-4 CAS number cross-checked
- Molecular formula
- C25H18O5
- InChIKey
- GZRUIWYMCZCYRH-UHFFFAOYSA-N
- InChI
- InChI=1S/C25H18O5/c1-2-10-26-23(7-1)14-18-20-4-3-19-17-6-8-22(27-11-12-28-22)13-16(17)5-9-24(19)25(20,30-24)15-21(18)29-23/h1-10,13,15H,11-12,14H2
- SMILES (canonical and isomeric)
- C1COC2(O1)C=CC3=C4C=CC5=C6CC7(C=CC=CO7)OC6=CC58C4(O8)C=CC3=C2
Synonyms
- Dispiro(1,3-dioxolane-2,2'-(2H)naphth(2',1':4,5)oxireno(3a,4)indeno(2,1-b)furan-8'(7'H),2''-(2H)pyran)
- 7'H-Dispiro[[1,3]dioxolane-2,2'-naphtho[2',1':4,5]oxireno[3a,4]indeno[2,1-b]furan-8',2''-pyran]
- 7'H-Dispiro[1,3-dioxolane-2,2'-naphtho[2',1':4,5]oxireno[3a,4]indeno[2,1-b]furan-8',2''-pyran]
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 | 398.41 g/molcalc.Computed value |
|---|---|
| Exact mass | 398.1154 Dacalc.Computed value |
| LogP (octanol/water) | 3.58calc.Computed value |
| Topological polar surface area | 49.45 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 5calc.Computed value |
| Rotatable bonds | 0calc.Computed value |
| Heavy atoms | 30calc.Computed value |
| Rings | 8calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 0.28calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 3calc.Computed value |
| Lipinski rule of five | Passes (0 violations)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
C1=COC2(C=C1)CC1=C3C=CC4=C5C=CC6(C=C5C=CC45OC35C=C1O2)OCCO6
8 rings, 30 atoms. This chemical is the scaffold itself.
No other chemical in our database has this scaffold.
Safety and hazards
GHS classification summary, not a safety data sheet
No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Quinone S181 suppliers
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Quinone S181 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
Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.
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 Quinone S181 is traded under.
Heterocyclic compounds with oxygen hetero-atom(s) only, other
- China28.9%
- Switzerland * partner reported12.7%
- Germany7.8%
- United States49.7%
- China11.9%
- India * partner reported3.3%
* Partner reported figures, a lower bound.
The HS code shown for Quinone S181 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
Same formula isomers
Different compounds that share this molecular formula
![Benzo[1,2-b:4,5-b']difuran-2,6-dione, 3-phenyl-7-(4-propoxyphenyl)- chemical structure, C25H18O5, CAS 79694-17-0](/s/ITMNEINISUYYJO-UHFFFAOYSA-N.svg)
![3-(3-Methoxyphenyl)-5-(4-methoxyphenyl)-7H-furo[3,2-g]chromen-7-one chemical structure, C25H18O5, CAS 433701-09-8](/s/BURHVDPUSWDKFQ-UHFFFAOYSA-N.svg)
![3,5-Bis(4-methoxyphenyl)-7H-furo[3,2-g]chromen-7-one chemical structure, C25H18O5, CAS 374765-98-7](/s/TZAGYKCHXNIQNM-UHFFFAOYSA-N.svg)
![3-[4-[(7-Hydroxy-2-oxo-3-phenylchromen-4-yl)methyl]phenyl]prop-2-enoic acid chemical structure, C25H18O5, CAS 1334310-70-1](/s/YGKGINZAHYHTNB-UHFFFAOYSA-N.svg)
![5,7-Dihydroxy-8-methyl-4-phenyl-3-[(E)-3-phenylprop-2-enoyl]chromen-2-one chemical structure, C25H18O5, CAS 2254605-76-8](/s/RTYVORPNMMHKDM-OUKQBFOZSA-N.svg)
![(2Z)-2-(1,3-Benzodioxol-5-ylmethylidene)-6-{[(2E)-3-phenylprop-2-en-1-yl]oxy}-1-benzofuran-3(2H)-one chemical structure, C25H18O5, CAS 929413-82-1](/s/TWWBHDKHGLHXPD-PPDLDXRUSA-N.svg)
![[4-[(Z)-3-(1,3-Benzodioxol-5-yl)prop-2-enoyl]phenyl] (E)-3-phenylprop-2-enoate chemical structure, C25H18O5, CAS 306730-23-4](/s/NJRLSEMUTSTBAJ-QDOYKEIESA-N.svg)
![Bis[4-(4-hydroxyphenoxy)phenyl]methanone chemical structure, C25H18O5, CAS 42592-70-1](/s/UDCQWFNLGWCFPK-UHFFFAOYSA-N.svg)
Frequently asked questions
Quick answers about Quinone S181, based on the data on this page
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Guides for buyers
Practical guides that help when you source, ship or handle Quinone S181
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.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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