Benzo(a)pyren-5-ol, acetate
TL;DR: Benzo(a)pyren-5-ol, acetate (CAS 24027-82-5) 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[a]pyren-5-yl acetate
Also Known As: Benzo(a)pyren-5-ol, acetate, benzo[a]pyren-5-yl acetate, Benzo[pqr]tetraphen-5-yl acetate, 5-acetoxy-pyrimidine-2,4,6-trione, Benzo[a]pyren-5-ol,acetate(8ci,9ci)
| 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 | 24027-82-5 |
|---|---|
| SMILES | CC(=O)OC1=CC2=CC=CC3=C2C4=C(C=C3)C5=CC=CC=C5C=C14 |
| InChIKey | FRJCAHNSPSIPAG-UHFFFAOYSA-N |
Product Overview
Benzo(a)pyren-5-ol, acetate (CAS 24027-82-5), with molecular formula C22H14O2 and molecular weight 310.10 g/mol. IUPAC: benzo[a]pyren-5-yl acetate.
Chemical Property Profile of Benzo(a)pyren-5-ol, acetate
Property Insights of Benzo(a)pyren-5-ol, acetate
The XLogP value of 6.0 indicates that Benzo(a)pyren-5-ol, 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)pyren-5-ol, acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(a)pyren-5-ol, 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)pyren-5-ol, acetate?
The CAS number of Benzo(a)pyren-5-ol, acetate is 24027-82-5.
What is the molecular formula of Benzo(a)pyren-5-ol, acetate?
The molecular formula of Benzo(a)pyren-5-ol, acetate is C22H14O2.
What is the molecular weight of Benzo(a)pyren-5-ol, acetate?
The molecular weight of Benzo(a)pyren-5-ol, acetate is 310.10 g/mol.
Where can I buy Benzo(a)pyren-5-ol, acetate?
You can request a quote for Benzo(a)pyren-5-ol, 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)pyren-5-ol, acetate?
Yes, KEHONG BIO provides custom synthesis services for Benzo(a)pyren-5-ol, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.