Benzo(b)pyrene-1,6-diol
TL;DR: Benzo(b)pyrene-1,6-diol (CAS 6988-19-8) 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[b]pyrene-1,6-diol
Also Known As: Benzo(b)pyrene-1,6-diol, benzo[pqr]tetraphene-1,6-diol, benzo[b]pyrene-1,6-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 | 6988-19-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C4C(=C2O)C=CC5=C4C(=C(C=C5)O)C=C3 |
| InChIKey | QYIVDRMOGWPFJX-UHFFFAOYSA-N |
Product Overview
Benzo(b)pyrene-1,6-diol (CAS 6988-19-8), with molecular formula C20H12O2 and molecular weight 284.08 g/mol. IUPAC: benzo[b]pyrene-1,6-diol.
Chemical Property Profile of Benzo(b)pyrene-1,6-diol
Property Insights of Benzo(b)pyrene-1,6-diol
The XLogP value of 5.6 indicates that Benzo(b)pyrene-1,6-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(b)pyrene-1,6-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(b)pyrene-1,6-diol 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(b)pyrene-1,6-diol?
The CAS number of Benzo(b)pyrene-1,6-diol is 6988-19-8.
What is the molecular formula of Benzo(b)pyrene-1,6-diol?
The molecular formula of Benzo(b)pyrene-1,6-diol is C20H12O2.
What is the molecular weight of Benzo(b)pyrene-1,6-diol?
The molecular weight of Benzo(b)pyrene-1,6-diol is 284.08 g/mol.
Where can I buy Benzo(b)pyrene-1,6-diol?
You can request a quote for Benzo(b)pyrene-1,6-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(b)pyrene-1,6-diol?
Yes, KEHONG BIO provides custom synthesis services for Benzo(b)pyrene-1,6-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.