trans-Anti-benzo(A)pyrene-7,8-diol-9,10-oxide
TL;DR: trans-Anti-benzo(A)pyrene-7,8-diol-9,10-oxide (CAS 60268-85-1) 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.
(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: BPDE, BPDE-I, Benzo(a)pyrene diolepoxide I, TRANS-ANTI-BENZO(A)PYRENE-7,8-DIOL-9,10-OXIDE, 7r,8t-Dihydroxy-9,10t-oxy-7,8,9,10-tetrahydrobenzo(a)pyrene
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=C4C6C(O6)[C@@H]([C@H]5O)O)C=C2 |
| InChIKey | DQEPMTIXHXSFOR-WBYGSUFKSA-N |
Chemical Property Profile of trans-Anti-benzo(A)pyrene-7,8-diol-9,10-oxide
Property Insights of trans-Anti-benzo(A)pyrene-7,8-diol-9,10-oxide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-Anti-benzo(A)pyrene-7,8-diol-9,10-oxide. With a topological polar surface area (TPSA) of 53.0 Ų, trans-Anti-benzo(A)pyrene-7,8-diol-9,10-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-Anti-benzo(A)pyrene-7,8-diol-9,10-oxide 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 trans-Anti-benzo(A)pyrene-7,8-diol-9,10-oxide?
The CAS number of trans-Anti-benzo(A)pyrene-7,8-diol-9,10-oxide is 60268-85-1.
What is the molecular formula of trans-Anti-benzo(A)pyrene-7,8-diol-9,10-oxide?
The molecular formula of trans-Anti-benzo(A)pyrene-7,8-diol-9,10-oxide is C20H14O3.
What is the molecular weight of trans-Anti-benzo(A)pyrene-7,8-diol-9,10-oxide?
The molecular weight of trans-Anti-benzo(A)pyrene-7,8-diol-9,10-oxide is 302.0943 g/mol.
Where can I buy trans-Anti-benzo(A)pyrene-7,8-diol-9,10-oxide?
You can request a quote for trans-Anti-benzo(A)pyrene-7,8-diol-9,10-oxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for trans-Anti-benzo(A)pyrene-7,8-diol-9,10-oxide?
Yes, CoreyChem provides custom synthesis services for trans-Anti-benzo(A)pyrene-7,8-diol-9,10-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.