4-(乙酰氧基)苯乙酰氯
TL;DR: 4-(乙酰氧基)苯乙酰氯 (CAS 65448-20-6) is a chemical compound with molecular formula C10H9ClO3 and molecular weight 212.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(乙酰氧基)苯乙酰氯
[4-(2-chloro-2-oxoethyl)phenyl] acetate
Also Known As: p-acetoxyphenylacetyl chloride, 4-acetoxyphenylacetyl chloride, Benzeneacetyl chloride, 4-(acetyloxy)-, 4-(acetyloxy)-Benzeneacetyl chloride, 4-(2-Chloro-2-oxoethyl)phenyl acetate
| Molecular Formula | C10H9ClO3 |
|---|---|
| Molecular Weight | 212.02 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.02402 |
| Heavy Atoms | 14 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 65448-20-6 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)CC(=O)Cl |
| InChIKey | VMRNOSREMVEDTC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(乙酰氧基)苯乙酰氯 (CAS 65448-20-6), with molecular formula C10H9ClO3 and molecular weight 212.02 g/mol. IUPAC: [4-(2-chloro-2-oxoethyl)phenyl] acetate.
Chemical Property Profile of 4-(乙酰氧基)苯乙酰氯
Property Insights of 4-(乙酰氧基)苯乙酰氯
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(乙酰氧基)苯乙酰氯. With a topological polar surface area (TPSA) of 43.4 Ų, 4-(乙酰氧基)苯乙酰氯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(乙酰氧基)苯乙酰氯 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 4-(乙酰氧基)苯乙酰氯?
The CAS number of 4-(乙酰氧基)苯乙酰氯 is 65448-20-6.
What is the molecular formula of 4-(乙酰氧基)苯乙酰氯?
The molecular formula of 4-(乙酰氧基)苯乙酰氯 is C10H9ClO3.
What is the molecular weight of 4-(乙酰氧基)苯乙酰氯?
The molecular weight of 4-(乙酰氧基)苯乙酰氯 is 212.02 g/mol.
Where can I buy 4-(乙酰氧基)苯乙酰氯?
You can request a quote for 4-(乙酰氧基)苯乙酰氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(乙酰氧基)苯乙酰氯?
Yes, KEHONG BIO provides custom synthesis services for 4-(乙酰氧基)苯乙酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.