9,10-Epoxy-7,8-dihydroxy-7,8,9,10-tetrahydro-5-methylchrysene
TL;DR: 9,10-Epoxy-7,8-dihydroxy-7,8,9,10-tetrahydro-5-methylchrysene (CAS 81851-67-4) 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,5R,6R,7S)-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-7R,8S-diol-9S,10R-epoxide, KST-1A0072, 5-Methylchrysene-7,8-diol-9,10-epoxide, 9,10-Epoxy-7,8-dihydroxy-7,8,9,10-tetrahydro-5-methylchrysene, (7s,8r,8ar,9as)-5-methyl-7,8,8a,9a-tetrahydrochryseno[3,4-b]oxirene-7,8-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 | 81851-67-4 |
|---|---|
| SMILES | CC1=CC2=C([C@H]3[C@H](O3)[C@@H]([C@H]2O)O)C4=C1C5=CC=CC=C5C=C4 |
| InChIKey | LMQWCOZFQUNBGM-ZSYWTGECSA-N |
Product Overview
9,10-Epoxy-7,8-dihydroxy-7,8,9,10-tetrahydro-5-methylchrysene (CAS 81851-67-4), with molecular formula C19H16O3 and molecular weight 292.11 g/mol. IUPAC: (3S,5R,6R,7S)-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 9,10-Epoxy-7,8-dihydroxy-7,8,9,10-tetrahydro-5-methylchrysene
Property Insights of 9,10-Epoxy-7,8-dihydroxy-7,8,9,10-tetrahydro-5-methylchrysene
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9,10-Epoxy-7,8-dihydroxy-7,8,9,10-tetrahydro-5-methylchrysene. With a topological polar surface area (TPSA) of 53.0 Ų, 9,10-Epoxy-7,8-dihydroxy-7,8,9,10-tetrahydro-5-methylchrysene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9,10-Epoxy-7,8-dihydroxy-7,8,9,10-tetrahydro-5-methylchrysene 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 9,10-Epoxy-7,8-dihydroxy-7,8,9,10-tetrahydro-5-methylchrysene?
The CAS number of 9,10-Epoxy-7,8-dihydroxy-7,8,9,10-tetrahydro-5-methylchrysene is 81851-67-4.
What is the molecular formula of 9,10-Epoxy-7,8-dihydroxy-7,8,9,10-tetrahydro-5-methylchrysene?
The molecular formula of 9,10-Epoxy-7,8-dihydroxy-7,8,9,10-tetrahydro-5-methylchrysene is C19H16O3.
What is the molecular weight of 9,10-Epoxy-7,8-dihydroxy-7,8,9,10-tetrahydro-5-methylchrysene?
The molecular weight of 9,10-Epoxy-7,8-dihydroxy-7,8,9,10-tetrahydro-5-methylchrysene is 292.11 g/mol.
Where can I buy 9,10-Epoxy-7,8-dihydroxy-7,8,9,10-tetrahydro-5-methylchrysene?
You can request a quote for 9,10-Epoxy-7,8-dihydroxy-7,8,9,10-tetrahydro-5-methylchrysene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,10-Epoxy-7,8-dihydroxy-7,8,9,10-tetrahydro-5-methylchrysene?
Yes, KEHONG BIO provides custom synthesis services for 9,10-Epoxy-7,8-dihydroxy-7,8,9,10-tetrahydro-5-methylchrysene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.