Benzo(a)pyrene-3,9-diol
TL;DR: Benzo(a)pyrene-3,9-diol (CAS 75050-75-8) is a chemical compound with molecular formula C20H12O2 and molecular weight 284.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzo[a]pyrene-3,9-diol
Also Known As: Benzo(a)pyrene-3,9-diol, benzo[a]pyrene-3,9-diol, benzo[pqr]tetraphene-3,9-diol, Diphenyl-essigsaeure-[2]naphthylamid
| Molecular Formula | C20H12O2 |
|---|---|
| Molecular Weight | 284.08 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 284.08374 |
| Heavy Atoms | 22 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 75050-75-8 |
|---|---|
| SMILES | C1=CC2=C3C=C(C=CC3=CC4=C2C5=C1C=CC(=C5C=C4)O)O |
| InChIKey | UIOQBEXPACHYJQ-UHFFFAOYSA-N |
Product Overview
Benzo(a)pyrene-3,9-diol (CAS 75050-75-8), with molecular formula C20H12O2 and molecular weight 284.08 g/mol. IUPAC: benzo[a]pyrene-3,9-diol.
Chemical Property Profile of Benzo(a)pyrene-3,9-diol
Property Insights of Benzo(a)pyrene-3,9-diol
The XLogP value of 5.0 indicates that Benzo(a)pyrene-3,9-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, Benzo(a)pyrene-3,9-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(a)pyrene-3,9-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 Benzo(a)pyrene-3,9-diol?
The CAS number of Benzo(a)pyrene-3,9-diol is 75050-75-8.
What is the molecular formula of Benzo(a)pyrene-3,9-diol?
The molecular formula of Benzo(a)pyrene-3,9-diol is C20H12O2.
What is the molecular weight of Benzo(a)pyrene-3,9-diol?
The molecular weight of Benzo(a)pyrene-3,9-diol is 284.08 g/mol.
Where can I buy Benzo(a)pyrene-3,9-diol?
You can request a quote for Benzo(a)pyrene-3,9-diol 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-3,9-diol?
Yes, KEHONG BIO provides custom synthesis services for Benzo(a)pyrene-3,9-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.