6-Methylchrysene-1S,2R-diol-3R,4S-epoxide
TL;DR: 6-Methylchrysene-1S,2R-diol-3R,4S-epoxide (CAS 111901-45-2) is a chemical compound with molecular formula C19H16O3 and molecular weight 292.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4R,5R,7S)-19-methyl-6-oxapentacyclo[9.8.0.02,8.05,7.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-3,4-diol
Also Known As: 6-Methylchrysene-1S,2R-diol-3R,4S-epoxide, 1S,2R-Dihydroxy-3R,4S-epoxy-1,2,3,4-tetrahydro-5-methylchrysene, 4-Methyl-1a,2,3,11b-tetrahydrochryseno[1,2-b]oxirene-2,3-diol, Chryseno(3,4-b)oxirene-1,2-diol, 1,2,2a,3a-tetrahydro-5-methyl-, (1S-(1-alpha,2-beta,2a-alpha,3a-alpha))-, (1aR,2R,3S,11bS)-4-Methyl-1a,2,3,11b-tetrahydrochryseno[1,2-b]oxirene-2,3-diol
| Molecular Formula | C19H16O3 |
|---|---|
| Molecular Weight | 292.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 292.10995 |
| Heavy Atoms | 22 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 111901-45-2 |
|---|---|
| SMILES | CC1=CC2=CC=CC=C2C3=C1C4=C(C=C3)[C@H]5[C@H](O5)[C@@H]([C@H]4O)O |
| InChIKey | CZVSHTLWXHRACB-ZSYWTGECSA-N |
Product Overview
6-Methylchrysene-1S,2R-diol-3R,4S-epoxide (CAS 111901-45-2), with molecular formula C19H16O3 and molecular weight 292.11 g/mol. IUPAC: (3S,4R,5R,7S)-19-methyl-6-oxapentacyclo[9.8.0.02,8.05,7.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-3,4-diol.
Chemical Property Profile of 6-Methylchrysene-1S,2R-diol-3R,4S-epoxide
Property Insights of 6-Methylchrysene-1S,2R-diol-3R,4S-epoxide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methylchrysene-1S,2R-diol-3R,4S-epoxide. With a topological polar surface area (TPSA) of 53.0 Ų, 6-Methylchrysene-1S,2R-diol-3R,4S-epoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methylchrysene-1S,2R-diol-3R,4S-epoxide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Methylchrysene-1S,2R-diol-3R,4S-epoxide?
The CAS number of 6-Methylchrysene-1S,2R-diol-3R,4S-epoxide is 111901-45-2.
What is the molecular formula of 6-Methylchrysene-1S,2R-diol-3R,4S-epoxide?
The molecular formula of 6-Methylchrysene-1S,2R-diol-3R,4S-epoxide is C19H16O3.
What is the molecular weight of 6-Methylchrysene-1S,2R-diol-3R,4S-epoxide?
The molecular weight of 6-Methylchrysene-1S,2R-diol-3R,4S-epoxide is 292.11 g/mol.
Where can I buy 6-Methylchrysene-1S,2R-diol-3R,4S-epoxide?
You can request a quote for 6-Methylchrysene-1S,2R-diol-3R,4S-epoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methylchrysene-1S,2R-diol-3R,4S-epoxide?
Yes, KEHONG BIO provides custom synthesis services for 6-Methylchrysene-1S,2R-diol-3R,4S-epoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.