(-)-Chrysene-1-alpha,2-beta-diol-3-beta,4-beta-epoxide 2
TL;DR: (-)-Chrysene-1-alpha,2-beta-diol-3-beta,4-beta-epoxide 2 (CAS 80433-82-5) 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.
(3S,5R,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: (-)-anti-CDE, (-)-Chrysene-1-alpha,2-beta-diol-3-beta,4-beta-epoxide 2, 5-17-05-00479 (Beilstein Handbook Reference), cis-(-)-3-beta,4-beta-Epoxy-1,2,3,4-tetrahydro-1-alpha,2-beta-chrysenediol, 1-alpha,2-beta-CHRYSENEDIOL, 1,2,3,4-TETRAHYDRO-3-beta,4-beta-EPOXY-, (Z)-(-)-
| 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 | 80433-82-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3[C@H]5[C@H](O5)[C@@H]([C@H]4O)O |
| InChIKey | KPTYXJLOWLVCMU-XWTMOSNGSA-N |
Product Overview
(-)-Chrysene-1-alpha,2-beta-diol-3-beta,4-beta-epoxide 2 (CAS 80433-82-5), with molecular formula C18H14O3 and molecular weight 278.09 g/mol. IUPAC: (3S,5R,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-beta,4-beta-epoxide 2
Property Insights of (-)-Chrysene-1-alpha,2-beta-diol-3-beta,4-beta-epoxide 2
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (-)-Chrysene-1-alpha,2-beta-diol-3-beta,4-beta-epoxide 2. With a topological polar surface area (TPSA) of 53.0 Ų, (-)-Chrysene-1-alpha,2-beta-diol-3-beta,4-beta-epoxide 2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (-)-Chrysene-1-alpha,2-beta-diol-3-beta,4-beta-epoxide 2 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-beta,4-beta-epoxide 2?
The CAS number of (-)-Chrysene-1-alpha,2-beta-diol-3-beta,4-beta-epoxide 2 is 80433-82-5.
What is the molecular formula of (-)-Chrysene-1-alpha,2-beta-diol-3-beta,4-beta-epoxide 2?
The molecular formula of (-)-Chrysene-1-alpha,2-beta-diol-3-beta,4-beta-epoxide 2 is C18H14O3.
What is the molecular weight of (-)-Chrysene-1-alpha,2-beta-diol-3-beta,4-beta-epoxide 2?
The molecular weight of (-)-Chrysene-1-alpha,2-beta-diol-3-beta,4-beta-epoxide 2 is 278.09 g/mol.
Where can I buy (-)-Chrysene-1-alpha,2-beta-diol-3-beta,4-beta-epoxide 2?
You can request a quote for (-)-Chrysene-1-alpha,2-beta-diol-3-beta,4-beta-epoxide 2 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-beta,4-beta-epoxide 2?
Yes, KEHONG BIO provides custom synthesis services for (-)-Chrysene-1-alpha,2-beta-diol-3-beta,4-beta-epoxide 2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.