![Isopropyl 3-[(chloroacetyl)amino]benzoate structure](/static/products/6970/6970-47-4.webp)
Isopropyl 3-[(chloroacetyl)amino]benzoate
TL;DR: Isopropyl 3-[(chloroacetyl)amino]benzoate (CAS 6970-47-4) is a chemical compound with molecular formula C12H14ClNO3 and molecular weight 255.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 3-[(2-chloroacetyl)amino]benzoate
Also Known As: isopropyl 3-[(chloroacetyl)amino]benzoate, propan-2-yl 3-[(2-chloroacetyl)amino]benzoate, propan-2-yl 3-(2-chloroacetamido)benzoate, Isopropyl 3-(2-chloroacetamido)benzoate, methylethyl 3-(2-chloroacetylamino)benzoate
| Molecular Formula | C12H14ClNO3 |
|---|---|
| Molecular Weight | 255.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 255.06622 |
| Heavy Atoms | 17 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 6970-47-4 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC(=CC=C1)NC(=O)CCl |
| InChIKey | MNVBNVNLODBHKB-UHFFFAOYSA-N |
Product Overview
Isopropyl 3-[(chloroacetyl)amino]benzoate (CAS 6970-47-4), with molecular formula C12H14ClNO3 and molecular weight 255.07 g/mol. IUPAC: propan-2-yl 3-[(2-chloroacetyl)amino]benzoate.
Chemical Property Profile of Isopropyl 3-[(chloroacetyl)amino]benzoate
Property Insights of Isopropyl 3-[(chloroacetyl)amino]benzoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl 3-[(chloroacetyl)amino]benzoate. With a topological polar surface area (TPSA) of 55.4 Ų, Isopropyl 3-[(chloroacetyl)amino]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 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 Isopropyl 3-[(chloroacetyl)amino]benzoate?
The CAS number of Isopropyl 3-[(chloroacetyl)amino]benzoate is 6970-47-4.
What is the molecular formula of Isopropyl 3-[(chloroacetyl)amino]benzoate?
The molecular formula of Isopropyl 3-[(chloroacetyl)amino]benzoate is C12H14ClNO3.
What is the molecular weight of Isopropyl 3-[(chloroacetyl)amino]benzoate?
The molecular weight of Isopropyl 3-[(chloroacetyl)amino]benzoate is 255.07 g/mol.
Where can I buy Isopropyl 3-[(chloroacetyl)amino]benzoate?
You can request a quote for Isopropyl 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 Isopropyl 3-[(chloroacetyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 3-[(chloroacetyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.