Benzo(a)pyrene-6-ethanol, acetate
TL;DR: Benzo(a)pyrene-6-ethanol, acetate (CAS 105708-71-2) is a chemical compound with molecular formula C24H18O2 and molecular weight 338.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzo[b]pyren-6-ylethyl acetate
Also Known As: Benzo(a)pyrene-6-ethanol, acetate, 2-benzo[b]pyren-6-ylethyl acetate, 2-(benzo[pqr]tetraphen-6-yl)ethyl acetate
| Molecular Formula | C24H18O2 |
|---|---|
| Molecular Weight | 338.13 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.13068 |
| Heavy Atoms | 26 |
| Complexity | 528.0 |
Chemical Identifiers
| CAS Number | 105708-71-2 |
|---|---|
| SMILES | CC(=O)OCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C5=CC=CC=C51 |
| InChIKey | LYJIDCJAEAOXPH-UHFFFAOYSA-N |
Product Overview
Benzo(a)pyrene-6-ethanol, acetate (CAS 105708-71-2), with molecular formula C24H18O2 and molecular weight 338.13 g/mol. IUPAC: 2-benzo[b]pyren-6-ylethyl acetate.
Chemical Property Profile of Benzo(a)pyrene-6-ethanol, acetate
Property Insights of Benzo(a)pyrene-6-ethanol, acetate
The XLogP value of 6.4 indicates that Benzo(a)pyrene-6-ethanol, acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzo(a)pyrene-6-ethanol, acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(a)pyrene-6-ethanol, acetate has 0 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-6-ethanol, acetate?
The CAS number of Benzo(a)pyrene-6-ethanol, acetate is 105708-71-2.
What is the molecular formula of Benzo(a)pyrene-6-ethanol, acetate?
The molecular formula of Benzo(a)pyrene-6-ethanol, acetate is C24H18O2.
What is the molecular weight of Benzo(a)pyrene-6-ethanol, acetate?
The molecular weight of Benzo(a)pyrene-6-ethanol, acetate is 338.13 g/mol.
Where can I buy Benzo(a)pyrene-6-ethanol, acetate?
You can request a quote for Benzo(a)pyrene-6-ethanol, acetate 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, acetate?
Yes, KEHONG BIO provides custom synthesis services for Benzo(a)pyrene-6-ethanol, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.