trans-7,8,9,10-Tetrahydrobenzo(a)pyrene-7,8-diol
TL;DR: trans-7,8,9,10-Tetrahydrobenzo(a)pyrene-7,8-diol (CAS 64314-00-7) is a chemical compound with molecular formula C20H16O2 and molecular weight 288.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,8S)-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8-diol
Also Known As: Sid 751054, trans-7,8,9,10-Tetrahydrobenzo(a)pyrene-7,8-diol, Benzo(a)pyrene-7,8-diol, 7,8,9,10-tetrahydro-, trans-, 7,8,9,10-Tetrahydrobenzo(a)pyrene-7,8-diol trans-(+-)-, 7,8,9,10-Tetrahydrobenzo[a]pyrene-7alpha,8beta-diol
| Molecular Formula | C20H16O2 |
|---|---|
| Molecular Weight | 288.12 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 288.11502 |
| Heavy Atoms | 22 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 64314-00-7 |
|---|---|
| SMILES | C1CC2=C(C=C3C=CC4=C5C3=C2C=CC5=CC=C4)[C@@H]([C@H]1O)O |
| InChIKey | BZKFNBASVGRQMC-PXNSSMCTSA-N |
Product Overview
trans-7,8,9,10-Tetrahydrobenzo(a)pyrene-7,8-diol (CAS 64314-00-7), with molecular formula C20H16O2 and molecular weight 288.12 g/mol. IUPAC: (7S,8S)-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8-diol.
Chemical Property Profile of trans-7,8,9,10-Tetrahydrobenzo(a)pyrene-7,8-diol
Property Insights of trans-7,8,9,10-Tetrahydrobenzo(a)pyrene-7,8-diol
The XLogP value of 4.0 indicates that trans-7,8,9,10-Tetrahydrobenzo(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, trans-7,8,9,10-Tetrahydrobenzo(a)pyrene-7,8-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-7,8,9,10-Tetrahydrobenzo(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 trans-7,8,9,10-Tetrahydrobenzo(a)pyrene-7,8-diol?
The CAS number of trans-7,8,9,10-Tetrahydrobenzo(a)pyrene-7,8-diol is 64314-00-7.
What is the molecular formula of trans-7,8,9,10-Tetrahydrobenzo(a)pyrene-7,8-diol?
The molecular formula of trans-7,8,9,10-Tetrahydrobenzo(a)pyrene-7,8-diol is C20H16O2.
What is the molecular weight of trans-7,8,9,10-Tetrahydrobenzo(a)pyrene-7,8-diol?
The molecular weight of trans-7,8,9,10-Tetrahydrobenzo(a)pyrene-7,8-diol is 288.12 g/mol.
Where can I buy trans-7,8,9,10-Tetrahydrobenzo(a)pyrene-7,8-diol?
You can request a quote for trans-7,8,9,10-Tetrahydrobenzo(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 trans-7,8,9,10-Tetrahydrobenzo(a)pyrene-7,8-diol?
Yes, KEHONG BIO provides custom synthesis services for trans-7,8,9,10-Tetrahydrobenzo(a)pyrene-7,8-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.