9-Bromo-7,8,10-trihydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene
TL;DR: 9-Bromo-7,8,10-trihydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene (CAS 64681-68-1) is a chemical compound with molecular formula C20H15BrO3 and molecular weight 382.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-bromo-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,10-triol
Also Known As: NIOSH/DJ7955000, 9-bromo-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,10-triol, (7R,8S,9R,10S)-9-Bromo-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,10-triol, 7,8,9,10-Tetrahydro-9-bromo-7,8,10-trihydroxybenzo[a]pyrene, 9-Bromo-7,8,10-trihydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene
| Molecular Formula | C20H15BrO3 |
|---|---|
| Molecular Weight | 382.02 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 382.02045 |
| Heavy Atoms | 24 |
| Complexity | 499.0 |
Chemical Identifiers
| CAS Number | 64681-68-1 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C(C(C(C5O)O)Br)O)C=C2 |
| InChIKey | HHKCBBUWRNMMIZ-UHFFFAOYSA-N |
Product Overview
9-Bromo-7,8,10-trihydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene (CAS 64681-68-1), with molecular formula C20H15BrO3 and molecular weight 382.02 g/mol. IUPAC: 9-bromo-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,10-triol.
Chemical Property Profile of 9-Bromo-7,8,10-trihydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene
Property Insights of 9-Bromo-7,8,10-trihydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene
The XLogP value of 3.3 indicates that 9-Bromo-7,8,10-trihydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene 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 9-Bromo-7,8,10-trihydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene. Following Lipinski's Rule of Five, 9-Bromo-7,8,10-trihydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene 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 9-Bromo-7,8,10-trihydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene?
The CAS number of 9-Bromo-7,8,10-trihydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene is 64681-68-1.
What is the molecular formula of 9-Bromo-7,8,10-trihydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene?
The molecular formula of 9-Bromo-7,8,10-trihydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene is C20H15BrO3.
What is the molecular weight of 9-Bromo-7,8,10-trihydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene?
The molecular weight of 9-Bromo-7,8,10-trihydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene is 382.02 g/mol.
Where can I buy 9-Bromo-7,8,10-trihydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene?
You can request a quote for 9-Bromo-7,8,10-trihydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Bromo-7,8,10-trihydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene?
Yes, KEHONG BIO provides custom synthesis services for 9-Bromo-7,8,10-trihydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.