Benzo(a)pyrene-7,8,9-triol, 10-chloro-7,8,9,10-tetrahydro-, (7R,8S,9S,10S)-
TL;DR: Benzo(a)pyrene-7,8,9-triol, 10-chloro-7,8,9,10-tetrahydro-, (7R,8S,9S,10S)- (CAS 213399-21-4) is a chemical compound with molecular formula C20H15ClO3 and molecular weight 338.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7R,8S,9S,10S)-10-chloro-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9-triol
Also Known As: 10-Chloro-7,8,9,10-tetrahydrobenzo[pqr]tetraphene-7,8,9-triol, Benzo(a)pyrene-7,8,9-triol, 10-chloro-7,8,9,10-tetrahydro-, (7R,8S,9S,10S)-, 10beta-Chloro-7,8,9,10-tetrahydrobenzo[a]pyrene-7beta,8alpha,9alpha-triol, 7,8,9,10-Tetrahydro-10beta-chlorobenzo[a]pyrene-7beta,8alpha,9alpha-triol, (7R)-10beta-Chloro-7,8,9,10-tetrahydrobenzo[a]pyrene-7beta,8alpha,9alpha-triol
| Molecular Formula | C20H15ClO3 |
|---|---|
| Molecular Weight | 338.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 338.07098 |
| Heavy Atoms | 24 |
| Complexity | 499.0 |
Chemical Identifiers
| CAS Number | 213399-21-4 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4[C@@H]([C@H]([C@H]([C@@H]5O)O)O)Cl)C=C2 |
| InChIKey | REWGAEVNGHXFBN-NMLBUPMWSA-N |
Product Overview
Benzo(a)pyrene-7,8,9-triol, 10-chloro-7,8,9,10-tetrahydro-, (7R,8S,9S,10S)- (CAS 213399-21-4), with molecular formula C20H15ClO3 and molecular weight 338.07 g/mol. IUPAC: (7R,8S,9S,10S)-10-chloro-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9-triol.
Chemical Property Profile of Benzo(a)pyrene-7,8,9-triol, 10-chloro-7,8,9,10-tetrahydro-, (7R,8S,9S,10S)-
Property Insights of Benzo(a)pyrene-7,8,9-triol, 10-chloro-7,8,9,10-tetrahydro-, (7R,8S,9S,10S)-
The XLogP value of 3.1 indicates that Benzo(a)pyrene-7,8,9-triol, 10-chloro-7,8,9,10-tetrahydro-, (7R,8S,9S,10S)- 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, 10-chloro-7,8,9,10-tetrahydro-, (7R,8S,9S,10S)-. Following Lipinski's Rule of Five, Benzo(a)pyrene-7,8,9-triol, 10-chloro-7,8,9,10-tetrahydro-, (7R,8S,9S,10S)- 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, 10-chloro-7,8,9,10-tetrahydro-, (7R,8S,9S,10S)-?
The CAS number of Benzo(a)pyrene-7,8,9-triol, 10-chloro-7,8,9,10-tetrahydro-, (7R,8S,9S,10S)- is 213399-21-4.
What is the molecular formula of Benzo(a)pyrene-7,8,9-triol, 10-chloro-7,8,9,10-tetrahydro-, (7R,8S,9S,10S)-?
The molecular formula of Benzo(a)pyrene-7,8,9-triol, 10-chloro-7,8,9,10-tetrahydro-, (7R,8S,9S,10S)- is C20H15ClO3.
What is the molecular weight of Benzo(a)pyrene-7,8,9-triol, 10-chloro-7,8,9,10-tetrahydro-, (7R,8S,9S,10S)-?
The molecular weight of Benzo(a)pyrene-7,8,9-triol, 10-chloro-7,8,9,10-tetrahydro-, (7R,8S,9S,10S)- is 338.07 g/mol.
Where can I buy Benzo(a)pyrene-7,8,9-triol, 10-chloro-7,8,9,10-tetrahydro-, (7R,8S,9S,10S)-?
You can request a quote for Benzo(a)pyrene-7,8,9-triol, 10-chloro-7,8,9,10-tetrahydro-, (7R,8S,9S,10S)- 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, 10-chloro-7,8,9,10-tetrahydro-, (7R,8S,9S,10S)-?
Yes, KEHONG BIO provides custom synthesis services for Benzo(a)pyrene-7,8,9-triol, 10-chloro-7,8,9,10-tetrahydro-, (7R,8S,9S,10S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.