Benzo(a)pyrene-7,8,9-triol, 7,8,9,10-tetrahydro-, (7alpha,8beta,9alpha)-
TL;DR: Benzo(a)pyrene-7,8,9-triol, 7,8,9,10-tetrahydro-, (7alpha,8beta,9alpha)- (CAS 61133-71-9) is a chemical compound with molecular formula C20H16O3 and molecular weight 304.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7R,8R,9S)-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9-triol
Also Known As: Sid 183941, Benzo(a)pyrene-7,8,9-triol, 7,8,9,10-tetrahydro-, (7alpha,8beta,9alpha)-, (7alpha,8beta,9alpha)-7,8,9,10-Tetrahydrobenzo(a)pyrene-7,8,9-triol, (7R,8R,9S)-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9-triol, (7R)-7,8,9,10-Tetrahydrobenzo[a]pyrene-7beta,8alpha,9beta-triol
| Molecular Formula | C20H16O3 |
|---|---|
| Molecular Weight | 304.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 304.10995 |
| Heavy Atoms | 23 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 61133-71-9 |
|---|---|
| SMILES | C1[C@@H]([C@H]([C@@H](C2=C1C3=C4C(=C2)C=CC5=C4C(=CC=C5)C=C3)O)O)O |
| InChIKey | GFANZDFKCCJYRF-PWIZWCRZSA-N |
Product Overview
Benzo(a)pyrene-7,8,9-triol, 7,8,9,10-tetrahydro-, (7alpha,8beta,9alpha)- (CAS 61133-71-9), with molecular formula C20H16O3 and molecular weight 304.11 g/mol. IUPAC: (7R,8R,9S)-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9-triol.
Chemical Property Profile of Benzo(a)pyrene-7,8,9-triol, 7,8,9,10-tetrahydro-, (7alpha,8beta,9alpha)-
Property Insights of Benzo(a)pyrene-7,8,9-triol, 7,8,9,10-tetrahydro-, (7alpha,8beta,9alpha)-
The XLogP value of 3.0 indicates that Benzo(a)pyrene-7,8,9-triol, 7,8,9,10-tetrahydro-, (7alpha,8beta,9alpha)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo(a)pyrene-7,8,9-triol, 7,8,9,10-tetrahydro-, (7alpha,8beta,9alpha)-. Following Lipinski's Rule of Five, Benzo(a)pyrene-7,8,9-triol, 7,8,9,10-tetrahydro-, (7alpha,8beta,9alpha)- has 3 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 Benzo(a)pyrene-7,8,9-triol, 7,8,9,10-tetrahydro-, (7alpha,8beta,9alpha)-?
The CAS number of Benzo(a)pyrene-7,8,9-triol, 7,8,9,10-tetrahydro-, (7alpha,8beta,9alpha)- is 61133-71-9.
What is the molecular formula of Benzo(a)pyrene-7,8,9-triol, 7,8,9,10-tetrahydro-, (7alpha,8beta,9alpha)-?
The molecular formula of Benzo(a)pyrene-7,8,9-triol, 7,8,9,10-tetrahydro-, (7alpha,8beta,9alpha)- is C20H16O3.
What is the molecular weight of Benzo(a)pyrene-7,8,9-triol, 7,8,9,10-tetrahydro-, (7alpha,8beta,9alpha)-?
The molecular weight of Benzo(a)pyrene-7,8,9-triol, 7,8,9,10-tetrahydro-, (7alpha,8beta,9alpha)- is 304.11 g/mol.
Where can I buy Benzo(a)pyrene-7,8,9-triol, 7,8,9,10-tetrahydro-, (7alpha,8beta,9alpha)-?
You can request a quote for Benzo(a)pyrene-7,8,9-triol, 7,8,9,10-tetrahydro-, (7alpha,8beta,9alpha)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(a)pyrene-7,8,9-triol, 7,8,9,10-tetrahydro-, (7alpha,8beta,9alpha)-?
Yes, KEHONG BIO provides custom synthesis services for Benzo(a)pyrene-7,8,9-triol, 7,8,9,10-tetrahydro-, (7alpha,8beta,9alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.