(E)-7,8-Dihydrobenzo(a)pyrene-7,8-diol
TL;DR: (E)-7,8-Dihydrobenzo(a)pyrene-7,8-diol (CAS 57404-88-3) is a chemical compound with molecular formula C20H14O2 and molecular weight 286.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,8S)-7,8-dihydrobenzo[a]pyrene-7,8-diol
Also Known As: Benzo(a)pyrene-trans-7,8-diol, (+)-BaP-7,8-diol, (E)-7,8-Dihydrobenzo(a)pyrene-7,8-diol, trans-7,8-dihydroxy-7,8-dihydrobenzo[a]pyrene, (+-)-trans-BP 7,8-dihydrodiol
| Molecular Formula | C20H14O2 |
|---|---|
| Molecular Weight | 286.10 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 286.09937 |
| Heavy Atoms | 22 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 57404-88-3 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C=C[C@@H]([C@H]5O)O)C=C2 |
| InChIKey | YDXRLMMGARHIIC-PXNSSMCTSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(E)-7,8-Dihydrobenzo(a)pyrene-7,8-diol (CAS 57404-88-3), with molecular formula C20H14O2 and molecular weight 286.10 g/mol. IUPAC: (7S,8S)-7,8-dihydrobenzo[a]pyrene-7,8-diol.
Chemical Property Profile of (E)-7,8-Dihydrobenzo(a)pyrene-7,8-diol
Property Insights of (E)-7,8-Dihydrobenzo(a)pyrene-7,8-diol
The XLogP value of 3.9 indicates that (E)-7,8-Dihydrobenzo(a)pyrene-7,8-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, (E)-7,8-Dihydrobenzo(a)pyrene-7,8-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-7,8-Dihydrobenzo(a)pyrene-7,8-diol has 2 hydrogen bond donor(s) and 2 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 (E)-7,8-Dihydrobenzo(a)pyrene-7,8-diol?
The CAS number of (E)-7,8-Dihydrobenzo(a)pyrene-7,8-diol is 57404-88-3.
What is the molecular formula of (E)-7,8-Dihydrobenzo(a)pyrene-7,8-diol?
The molecular formula of (E)-7,8-Dihydrobenzo(a)pyrene-7,8-diol is C20H14O2.
What is the molecular weight of (E)-7,8-Dihydrobenzo(a)pyrene-7,8-diol?
The molecular weight of (E)-7,8-Dihydrobenzo(a)pyrene-7,8-diol is 286.10 g/mol.
Where can I buy (E)-7,8-Dihydrobenzo(a)pyrene-7,8-diol?
You can request a quote for (E)-7,8-Dihydrobenzo(a)pyrene-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 (E)-7,8-Dihydrobenzo(a)pyrene-7,8-diol?
Yes, KEHONG BIO provides custom synthesis services for (E)-7,8-Dihydrobenzo(a)pyrene-7,8-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.