Benzo(a)pyrene-6-ethanol
TL;DR: Benzo(a)pyrene-6-ethanol (CAS 105708-69-8) is a chemical compound with molecular formula C22H16O and molecular weight 296.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzo[b]pyren-6-ylethanol
Also Known As: Benzo(a)pyrene-6-ethanol, 2-benzo[b]pyren-6-ylethanol, Benzo[a]pyrene-6-ethanol(9CI), 2-(Benzo[pqr]tetraphen-6-yl)ethan-1-ol, Cyclopenta[cd]pyren-4-ol,3,4-dihydro-,acetate (9CI)
| Molecular Formula | C22H16O |
|---|---|
| Molecular Weight | 296.12 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.12012 |
| Heavy Atoms | 23 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 105708-69-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C4C(=C2CCO)C=CC5=CC=CC(=C54)C=C3 |
| InChIKey | UBBKCKHBOHFLQS-UHFFFAOYSA-N |
Product Overview
Benzo(a)pyrene-6-ethanol (CAS 105708-69-8), with molecular formula C22H16O and molecular weight 296.12 g/mol. IUPAC: 2-benzo[b]pyren-6-ylethanol.
Chemical Property Profile of Benzo(a)pyrene-6-ethanol
Property Insights of Benzo(a)pyrene-6-ethanol
The XLogP value of 5.9 indicates that Benzo(a)pyrene-6-ethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, Benzo(a)pyrene-6-ethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(a)pyrene-6-ethanol has 1 hydrogen bond donor(s) and 1 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-6-ethanol?
The CAS number of Benzo(a)pyrene-6-ethanol is 105708-69-8.
What is the molecular formula of Benzo(a)pyrene-6-ethanol?
The molecular formula of Benzo(a)pyrene-6-ethanol is C22H16O.
What is the molecular weight of Benzo(a)pyrene-6-ethanol?
The molecular weight of Benzo(a)pyrene-6-ethanol is 296.12 g/mol.
Where can I buy Benzo(a)pyrene-6-ethanol?
You can request a quote for Benzo(a)pyrene-6-ethanol 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-6-ethanol?
Yes, KEHONG BIO provides custom synthesis services for Benzo(a)pyrene-6-ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.