Benzo(a)pyrene-3,6-quinol
TL;DR: Benzo(a)pyrene-3,6-quinol (CAS 63148-10-7) 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-3,6-diol
Also Known As: BP-3,6-Quinol, benzo[a]pyrene-3,6-diol, 3,6-Dihydroxybenzo(a)pyrene, Benzo(a)pyrene-3,6-quinol, Benzo(a)pyrene-3,6-diol
| Molecular Formula | C20H12O2 |
|---|---|
| Molecular Weight | 284.08 g/mol |
| LogP | 5.6 |
| 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 | 63148-10-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C4C(=C2O)C=CC5=C(C=CC(=C54)C=C3)O |
| InChIKey | MNYTULBCYDHGOF-UHFFFAOYSA-N |
Product Overview
Benzo(a)pyrene-3,6-quinol (CAS 63148-10-7), with molecular formula C20H12O2 and molecular weight 284.08 g/mol. IUPAC: benzo[a]pyrene-3,6-diol.
Chemical Property Profile of Benzo(a)pyrene-3,6-quinol
Property Insights of Benzo(a)pyrene-3,6-quinol
The XLogP value of 5.6 indicates that Benzo(a)pyrene-3,6-quinol 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-3,6-quinol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(a)pyrene-3,6-quinol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzo(a)pyrene-3,6-quinol?
The CAS number of Benzo(a)pyrene-3,6-quinol is 63148-10-7.
What is the molecular formula of Benzo(a)pyrene-3,6-quinol?
The molecular formula of Benzo(a)pyrene-3,6-quinol is C20H12O2.
What is the molecular weight of Benzo(a)pyrene-3,6-quinol?
The molecular weight of Benzo(a)pyrene-3,6-quinol is 284.08 g/mol.
Where can I buy Benzo(a)pyrene-3,6-quinol?
You can request a quote for Benzo(a)pyrene-3,6-quinol 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-3,6-quinol?
Yes, KEHONG BIO provides custom synthesis services for Benzo(a)pyrene-3,6-quinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.