(7S,8R,8aS,9aR)-7,8,8a,9a-Tetrahydrobenzo(10,11)chryseno(3,4-b)oxirene-7,8-diol
TL;DR: (7S,8R,8aS,9aR)-7,8,8a,9a-Tetrahydrobenzo(10,11)chryseno(3,4-b)oxirene-7,8-diol (CAS 63323-29-5) is a chemical compound with molecular formula C20H14O3 and molecular weight 302.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,5S,6R,7S)-4-oxahexacyclo[11.6.2.02,8.03,5.010,20.017,21]henicosa-1(20),2(8),9,11,13(21),14,16,18-octaene-6,7-diol
Also Known As: syn-BP-diolepoxide, BPDE-syn, B(a)P epoxide I, BPDE, (+)-syn-BPDE
| Molecular Formula | C20H14O3 |
|---|---|
| Molecular Weight | 302.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 302.0943 |
| Heavy Atoms | 23 |
| Complexity | 507.0 |
Chemical Identifiers
| CAS Number | 63323-29-5 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4[C@@H]6[C@@H](O6)[C@@H]([C@H]5O)O)C=C2 |
| InChIKey | DQEPMTIXHXSFOR-NMLBUPMWSA-N |
Product Overview
(7S,8R,8aS,9aR)-7,8,8a,9a-Tetrahydrobenzo(10,11)chryseno(3,4-b)oxirene-7,8-diol (CAS 63323-29-5), with molecular formula C20H14O3 and molecular weight 302.09 g/mol. IUPAC: (3R,5S,6R,7S)-4-oxahexacyclo[11.6.2.02,8.03,5.010,20.017,21]henicosa-1(20),2(8),9,11,13(21),14,16,18-octaene-6,7-diol.
Chemical Property Profile of (7S,8R,8aS,9aR)-7,8,8a,9a-Tetrahydrobenzo(10,11)chryseno(3,4-b)oxirene-7,8-diol
Property Insights of (7S,8R,8aS,9aR)-7,8,8a,9a-Tetrahydrobenzo(10,11)chryseno(3,4-b)oxirene-7,8-diol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (7S,8R,8aS,9aR)-7,8,8a,9a-Tetrahydrobenzo(10,11)chryseno(3,4-b)oxirene-7,8-diol. With a topological polar surface area (TPSA) of 53.0 Ų, (7S,8R,8aS,9aR)-7,8,8a,9a-Tetrahydrobenzo(10,11)chryseno(3,4-b)oxirene-7,8-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (7S,8R,8aS,9aR)-7,8,8a,9a-Tetrahydrobenzo(10,11)chryseno(3,4-b)oxirene-7,8-diol 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 (7S,8R,8aS,9aR)-7,8,8a,9a-Tetrahydrobenzo(10,11)chryseno(3,4-b)oxirene-7,8-diol?
The CAS number of (7S,8R,8aS,9aR)-7,8,8a,9a-Tetrahydrobenzo(10,11)chryseno(3,4-b)oxirene-7,8-diol is 63323-29-5.
What is the molecular formula of (7S,8R,8aS,9aR)-7,8,8a,9a-Tetrahydrobenzo(10,11)chryseno(3,4-b)oxirene-7,8-diol?
The molecular formula of (7S,8R,8aS,9aR)-7,8,8a,9a-Tetrahydrobenzo(10,11)chryseno(3,4-b)oxirene-7,8-diol is C20H14O3.
What is the molecular weight of (7S,8R,8aS,9aR)-7,8,8a,9a-Tetrahydrobenzo(10,11)chryseno(3,4-b)oxirene-7,8-diol?
The molecular weight of (7S,8R,8aS,9aR)-7,8,8a,9a-Tetrahydrobenzo(10,11)chryseno(3,4-b)oxirene-7,8-diol is 302.09 g/mol.
Where can I buy (7S,8R,8aS,9aR)-7,8,8a,9a-Tetrahydrobenzo(10,11)chryseno(3,4-b)oxirene-7,8-diol?
You can request a quote for (7S,8R,8aS,9aR)-7,8,8a,9a-Tetrahydrobenzo(10,11)chryseno(3,4-b)oxirene-7,8-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (7S,8R,8aS,9aR)-7,8,8a,9a-Tetrahydrobenzo(10,11)chryseno(3,4-b)oxirene-7,8-diol?
Yes, KEHONG BIO provides custom synthesis services for (7S,8R,8aS,9aR)-7,8,8a,9a-Tetrahydrobenzo(10,11)chryseno(3,4-b)oxirene-7,8-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.