Benzo(a)pyrene-9,10-diol-7,8-epoxide, syn
TL;DR: Benzo(a)pyrene-9,10-diol-7,8-epoxide, syn (CAS 66212-60-0) is a chemical compound with molecular formula C20H14O3 and molecular weight 302.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R,4S,5R,7S)-6-oxahexacyclo[11.6.2.02,8.05,7.010,20.017,21]henicosa-1(20),2(8),9,11,13(21),14,16,18-octaene-3,4-diol
Also Known As: Bpde III, Benzo(a)pyrene-9,10-diol-7,8-epoxide, syn, syn-Benzo(a)pyrene-9,10-diol-7,8-epoxide, 9-beta,10-alpha-Dihydroxy-7-alpha,8-alpha-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene, Benzo(a)pyrene, 7,8,9,10-tetrahydro-9-beta,10-alpha-dihydroxy-7-alpha,8-alpha-epoxy-
Technical Specifications
| Molecular Formula | C20H14O3 |
| Molecular Weight | 302.0943 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 53.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 302.0943 Da |
| Heavy Atoms | 23 |
| Complexity | 507.0 |
| SMILES | C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4[C@H]([C@@H]([C@@H]6[C@H]5O6)O)O)C=C2 |
| InChIKey | VAHKPYXMVVSHGS-FUMNGEBKSA-N |
Chemical Property Profile of Benzo(a)pyrene-9,10-diol-7,8-epoxide, syn
Property Insights of Benzo(a)pyrene-9,10-diol-7,8-epoxide, syn
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo(a)pyrene-9,10-diol-7,8-epoxide, syn. With a topological polar surface area (TPSA) of 53.0 Ų, Benzo(a)pyrene-9,10-diol-7,8-epoxide, syn exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(a)pyrene-9,10-diol-7,8-epoxide, syn 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
What is the CAS number of Benzo(a)pyrene-9,10-diol-7,8-epoxide, syn?
The CAS number of Benzo(a)pyrene-9,10-diol-7,8-epoxide, syn is 66212-60-0.
What is the molecular formula of Benzo(a)pyrene-9,10-diol-7,8-epoxide, syn?
The molecular formula of Benzo(a)pyrene-9,10-diol-7,8-epoxide, syn is C20H14O3.
What is the molecular weight of Benzo(a)pyrene-9,10-diol-7,8-epoxide, syn?
The molecular weight of Benzo(a)pyrene-9,10-diol-7,8-epoxide, syn is 302.0943 g/mol.
Where can I buy Benzo(a)pyrene-9,10-diol-7,8-epoxide, syn?
You can request a quote for Benzo(a)pyrene-9,10-diol-7,8-epoxide, syn directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzo(a)pyrene-9,10-diol-7,8-epoxide, syn?
Yes, CoreyChem provides custom synthesis services for Benzo(a)pyrene-9,10-diol-7,8-epoxide, syn and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.