p-Acetoxybenzoyl chloride
TL;DR: p-Acetoxybenzoyl chloride (CAS 27914-73-4) is a chemical compound with molecular formula C9H7ClO3 and molecular weight 198.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-carbonochloridoylphenyl) acetate
Also Known As: 4-acetoxybenzoyl chloride, 4-(Acetoxy)benzoyl chloride, 4-(chlorocarbonyl)phenyl acetate, 4-Acetoxy-benzoylchloride, p-acetoxybenzoyl chloride
| Molecular Formula | C9H7ClO3 |
|---|---|
| Molecular Weight | 198.01 g/mol |
| LogP | 1.9909 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.00838 |
| Heavy Atoms | 13 |
| Complexity | 329.218 |
Chemical Identifiers
| CAS Number | 27914-73-4 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)C(=O)Cl |
Product Overview
p-Acetoxybenzoyl chloride (CAS 27914-73-4), with molecular formula C9H7ClO3 and molecular weight 198.01 g/mol. IUPAC: (4-carbonochloridoylphenyl) acetate.
Chemical Property Profile of p-Acetoxybenzoyl chloride
Property Insights of p-Acetoxybenzoyl chloride
The XLogP value of 1.9909 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Acetoxybenzoyl chloride. With a topological polar surface area (TPSA) of 43.37 Ų, p-Acetoxybenzoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Acetoxybenzoyl chloride has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of p-Acetoxybenzoyl chloride?
The CAS number of p-Acetoxybenzoyl chloride is 27914-73-4.
What is the molecular formula of p-Acetoxybenzoyl chloride?
The molecular formula of p-Acetoxybenzoyl chloride is C9H7ClO3.
What is the molecular weight of p-Acetoxybenzoyl chloride?
The molecular weight of p-Acetoxybenzoyl chloride is 198.01 g/mol.
Where can I buy p-Acetoxybenzoyl chloride?
You can request a quote for p-Acetoxybenzoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Acetoxybenzoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for p-Acetoxybenzoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.