![6-Acetoxybenzo[a]pyrene structure](/static/products/5355/53555-67-2.webp)
6-Acetoxybenzo[a]pyrene
TL;DR: 6-Acetoxybenzo[a]pyrene (CAS 53555-67-2) is a chemical compound with molecular formula C22H14O2 and molecular weight 310.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzo[b]pyren-6-yl acetate
Also Known As: 6-Acetoxybenzo(a)pyrene, 6-Acetoxy-benzo(a)pyrene, 6-Acetoxybenzo[a]pyrene, Benzo(a)pyrene-6-yl acetate, BENZO(a)PYREN-6-OL, ACETATE
| Molecular Formula | C22H14O2 |
|---|---|
| Molecular Weight | 310.10 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 310.09937 |
| Heavy Atoms | 24 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 53555-67-2 |
|---|---|
| SMILES | CC(=O)OC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C5=CC=CC=C51 |
| InChIKey | PSUANBYSDSSXCT-UHFFFAOYSA-N |
Product Overview
6-Acetoxybenzo[a]pyrene (CAS 53555-67-2), with molecular formula C22H14O2 and molecular weight 310.10 g/mol. IUPAC: benzo[b]pyren-6-yl acetate.
Chemical Property Profile of 6-Acetoxybenzo[a]pyrene
Property Insights of 6-Acetoxybenzo[a]pyrene
The XLogP value of 6.0 indicates that 6-Acetoxybenzo[a]pyrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 6-Acetoxybenzo[a]pyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Acetoxybenzo[a]pyrene 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 6-Acetoxybenzo[a]pyrene?
The CAS number of 6-Acetoxybenzo[a]pyrene is 53555-67-2.
What is the molecular formula of 6-Acetoxybenzo[a]pyrene?
The molecular formula of 6-Acetoxybenzo[a]pyrene is C22H14O2.
What is the molecular weight of 6-Acetoxybenzo[a]pyrene?
The molecular weight of 6-Acetoxybenzo[a]pyrene is 310.10 g/mol.
Where can I buy 6-Acetoxybenzo[a]pyrene?
You can request a quote for 6-Acetoxybenzo[a]pyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Acetoxybenzo[a]pyrene?
Yes, KEHONG BIO provides custom synthesis services for 6-Acetoxybenzo[a]pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.