Phenyl 2-chloroacetoacetate
TL;DR: Phenyl 2-chloroacetoacetate (CAS 85153-61-3) 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.
phenyl 2-chloro-3-oxobutanoate
Also Known As: Phenyl 2-chloroacetoacetate, phenyl2-chloroacetoacetate, phenyl 2-chloro-3-oxobutanoate, EINECS 285-843-4, 2-Chloro-3-oxobutanoic acid phenyl ester
| Molecular Formula | C10H9ClO3 |
|---|---|
| Molecular Weight | 212.02 g/mol |
| LogP | 1.7884 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.02402 |
| Heavy Atoms | 14 |
| Complexity | 334.48016 |
Chemical Identifiers
| CAS Number | 85153-61-3 |
|---|---|
| SMILES | CC(=O)C(C(=O)OC1=CC=CC=C1)Cl |
Product Overview
Phenyl 2-chloroacetoacetate (CAS 85153-61-3), with molecular formula C10H9ClO3 and molecular weight 212.02 g/mol. IUPAC: phenyl 2-chloro-3-oxobutanoate.
Chemical Property Profile of Phenyl 2-chloroacetoacetate
Property Insights of Phenyl 2-chloroacetoacetate
The XLogP value of 1.7884 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl 2-chloroacetoacetate. With a topological polar surface area (TPSA) of 43.37 Ų, Phenyl 2-chloroacetoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl 2-chloroacetoacetate 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 Phenyl 2-chloroacetoacetate?
The CAS number of Phenyl 2-chloroacetoacetate is 85153-61-3.
What is the molecular formula of Phenyl 2-chloroacetoacetate?
The molecular formula of Phenyl 2-chloroacetoacetate is C10H9ClO3.
What is the molecular weight of Phenyl 2-chloroacetoacetate?
The molecular weight of Phenyl 2-chloroacetoacetate is 212.02 g/mol.
Where can I buy Phenyl 2-chloroacetoacetate?
You can request a quote for Phenyl 2-chloroacetoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 2-chloroacetoacetate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 2-chloroacetoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.