5-Methylchrysene-7S,8R-diol-9R,10S-epoxide
TL;DR: 5-Methylchrysene-7S,8R-diol-9R,10S-epoxide (CAS 1253-90-3) 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.
(3R,5S,6S,7R)-10-methyl-4-oxapentacyclo[9.8.0.02,8.03,5.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol
Also Known As: 5-Methylchrysene-7S,8R-diol-9R,10S-epoxide, KST-1A0950, KST-1A0951, Hbalpha-Chain fragments (123-136), Hb (123-136)
| 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 | 1253-90-3 |
|---|---|
| SMILES | CC1=CC2=C([C@@H]3[C@@H](O3)[C@H]([C@@H]2O)O)C4=C1C5=CC=CC=C5C=C4 |
| InChIKey | LMQWCOZFQUNBGM-HCXYKTFWSA-N |
Product Overview
5-Methylchrysene-7S,8R-diol-9R,10S-epoxide (CAS 1253-90-3), with molecular formula C19H16O3 and molecular weight 292.11 g/mol. IUPAC: (3R,5S,6S,7R)-10-methyl-4-oxapentacyclo[9.8.0.02,8.03,5.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol.
Chemical Property Profile of 5-Methylchrysene-7S,8R-diol-9R,10S-epoxide
Property Insights of 5-Methylchrysene-7S,8R-diol-9R,10S-epoxide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methylchrysene-7S,8R-diol-9R,10S-epoxide. With a topological polar surface area (TPSA) of 53.0 Ų, 5-Methylchrysene-7S,8R-diol-9R,10S-epoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methylchrysene-7S,8R-diol-9R,10S-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 5-Methylchrysene-7S,8R-diol-9R,10S-epoxide?
The CAS number of 5-Methylchrysene-7S,8R-diol-9R,10S-epoxide is 1253-90-3.
What is the molecular formula of 5-Methylchrysene-7S,8R-diol-9R,10S-epoxide?
The molecular formula of 5-Methylchrysene-7S,8R-diol-9R,10S-epoxide is C19H16O3.
What is the molecular weight of 5-Methylchrysene-7S,8R-diol-9R,10S-epoxide?
The molecular weight of 5-Methylchrysene-7S,8R-diol-9R,10S-epoxide is 292.11 g/mol.
Where can I buy 5-Methylchrysene-7S,8R-diol-9R,10S-epoxide?
You can request a quote for 5-Methylchrysene-7S,8R-diol-9R,10S-epoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methylchrysene-7S,8R-diol-9R,10S-epoxide?
Yes, KEHONG BIO provides custom synthesis services for 5-Methylchrysene-7S,8R-diol-9R,10S-epoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.