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Propan-2-yl 4-chloro-3-[(chloroacetyl)amino]benzoate
TL;DR: Propan-2-yl 4-chloro-3-[(chloroacetyl)amino]benzoate (CAS 757218-02-3) is a chemical compound with molecular formula C12H13Cl2NO3 and molecular weight 289.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-chloro-3-[(2-chloroacetyl)amino]benzoate
Also Known As: propan-2-yl 4-chloro-3-[(chloroacetyl)amino]benzoate, Propan-2-yl 4-chloro-3-(2-chloroacetamido)benzoate, propan-2-yl 4-chloro-3-[(2-chloroacetyl)amino]benzoate, 1-Methylethyl 4-chloro-3-[(2-chloroacetyl)amino]benzoate
| Molecular Formula | C12H13Cl2NO3 |
|---|---|
| Molecular Weight | 289.03 g/mol |
| LogP | 3.0825 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.02725 |
| Heavy Atoms | 18 |
| Complexity | 460.63577 |
Chemical Identifiers
| CAS Number | 757218-02-3 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CCl |
Product Overview
Propan-2-yl 4-chloro-3-[(chloroacetyl)amino]benzoate (CAS 757218-02-3), with molecular formula C12H13Cl2NO3 and molecular weight 289.03 g/mol. IUPAC: propan-2-yl 4-chloro-3-[(2-chloroacetyl)amino]benzoate.
Chemical Property Profile of Propan-2-yl 4-chloro-3-[(chloroacetyl)amino]benzoate
Property Insights of Propan-2-yl 4-chloro-3-[(chloroacetyl)amino]benzoate
The XLogP value of 3.0825 indicates that Propan-2-yl 4-chloro-3-[(chloroacetyl)amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Propan-2-yl 4-chloro-3-[(chloroacetyl)amino]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propan-2-yl 4-chloro-3-[(chloroacetyl)amino]benzoate has 1 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 Propan-2-yl 4-chloro-3-[(chloroacetyl)amino]benzoate?
The CAS number of Propan-2-yl 4-chloro-3-[(chloroacetyl)amino]benzoate is 757218-02-3.
What is the molecular formula of Propan-2-yl 4-chloro-3-[(chloroacetyl)amino]benzoate?
The molecular formula of Propan-2-yl 4-chloro-3-[(chloroacetyl)amino]benzoate is C12H13Cl2NO3.
What is the molecular weight of Propan-2-yl 4-chloro-3-[(chloroacetyl)amino]benzoate?
The molecular weight of Propan-2-yl 4-chloro-3-[(chloroacetyl)amino]benzoate is 289.03 g/mol.
Where can I buy Propan-2-yl 4-chloro-3-[(chloroacetyl)amino]benzoate?
You can request a quote for Propan-2-yl 4-chloro-3-[(chloroacetyl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propan-2-yl 4-chloro-3-[(chloroacetyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 4-chloro-3-[(chloroacetyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.