(+)-Chrysene-1-alpha,2-beta-diol-3-alpha,4-alpha-epoxide 1
TL;DR: (+)-Chrysene-1-alpha,2-beta-diol-3-alpha,4-alpha-epoxide 1 (CAS 80433-80-3) is a chemical compound with molecular formula C18H14O3 and molecular weight 278.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,5S,6R,7S)-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: (+)-Chrysene-1-alpha,2-beta-diol-3-alpha,4-alpha-epoxide 1, 5-17-05-00479 (Beilstein Handbook Reference), 1-alpha,2-beta-CHRYSENEDIOL, 1,2,3,4-TETRAHYDRO-3-alpha,4-alpha-EPOXY-, (E)-(+)-, trans-(+)-3-alpha,4-alpha-Epoxy-1,2,3,4-tetrahydro-1-alpha,2-beta-chrysenediol, Chryseno(3,4-b)oxirene-1,2-diol, 1,2,2a,3a-tetrahydro-, (1S-(1-alpha,2-beta,2a-beta,3a-beta))-
| Molecular Formula | C18H14O3 |
|---|---|
| Molecular Weight | 278.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 278.0943 |
| Heavy Atoms | 21 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 80433-80-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3[C@@H]5[C@@H](O5)[C@@H]([C@H]4O)O |
| InChIKey | KPTYXJLOWLVCMU-MLHJIOFPSA-N |
Product Overview
(+)-Chrysene-1-alpha,2-beta-diol-3-alpha,4-alpha-epoxide 1 (CAS 80433-80-3), with molecular formula C18H14O3 and molecular weight 278.09 g/mol. IUPAC: (3R,5S,6R,7S)-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 (+)-Chrysene-1-alpha,2-beta-diol-3-alpha,4-alpha-epoxide 1
Property Insights of (+)-Chrysene-1-alpha,2-beta-diol-3-alpha,4-alpha-epoxide 1
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (+)-Chrysene-1-alpha,2-beta-diol-3-alpha,4-alpha-epoxide 1. With a topological polar surface area (TPSA) of 53.0 Ų, (+)-Chrysene-1-alpha,2-beta-diol-3-alpha,4-alpha-epoxide 1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (+)-Chrysene-1-alpha,2-beta-diol-3-alpha,4-alpha-epoxide 1 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 (+)-Chrysene-1-alpha,2-beta-diol-3-alpha,4-alpha-epoxide 1?
The CAS number of (+)-Chrysene-1-alpha,2-beta-diol-3-alpha,4-alpha-epoxide 1 is 80433-80-3.
What is the molecular formula of (+)-Chrysene-1-alpha,2-beta-diol-3-alpha,4-alpha-epoxide 1?
The molecular formula of (+)-Chrysene-1-alpha,2-beta-diol-3-alpha,4-alpha-epoxide 1 is C18H14O3.
What is the molecular weight of (+)-Chrysene-1-alpha,2-beta-diol-3-alpha,4-alpha-epoxide 1?
The molecular weight of (+)-Chrysene-1-alpha,2-beta-diol-3-alpha,4-alpha-epoxide 1 is 278.09 g/mol.
Where can I buy (+)-Chrysene-1-alpha,2-beta-diol-3-alpha,4-alpha-epoxide 1?
You can request a quote for (+)-Chrysene-1-alpha,2-beta-diol-3-alpha,4-alpha-epoxide 1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+)-Chrysene-1-alpha,2-beta-diol-3-alpha,4-alpha-epoxide 1?
Yes, KEHONG BIO provides custom synthesis services for (+)-Chrysene-1-alpha,2-beta-diol-3-alpha,4-alpha-epoxide 1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.