N-(3-Chloro-1-ethoxy-1-oxopropan-2-yl)benzenecarboximidic acid
TL;DR: N-(3-Chloro-1-ethoxy-1-oxopropan-2-yl)benzenecarboximidic acid (CAS 38523-97-6) 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.
ethyl 2-benzamido-3-chloropropanoate
Also Known As: N-Benzoyl-3-chloroalanine ethyl ester, N-benzoyl-3-chloro-alanine ethyl ester, ethyl 2-benzamido-3-chloropropanoate, ethyl 2-benzamido-3-chloro-propanoate, ALANINE, N-BENZOYL-3-CHLORO-, ETHYL ESTER
| Molecular Formula | C12H14ClNO3 |
|---|---|
| Molecular Weight | 255.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 255.06622 |
| Heavy Atoms | 17 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 38523-97-6 |
|---|---|
| SMILES | CCOC(=O)C(CCl)NC(=O)C1=CC=CC=C1 |
| InChIKey | UOGBATROIKVZPW-UHFFFAOYSA-N |
Product Overview
N-(3-Chloro-1-ethoxy-1-oxopropan-2-yl)benzenecarboximidic acid (CAS 38523-97-6), with molecular formula C12H14ClNO3 and molecular weight 255.07 g/mol. IUPAC: ethyl 2-benzamido-3-chloropropanoate.
Chemical Property Profile of N-(3-Chloro-1-ethoxy-1-oxopropan-2-yl)benzenecarboximidic acid
Property Insights of N-(3-Chloro-1-ethoxy-1-oxopropan-2-yl)benzenecarboximidic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-Chloro-1-ethoxy-1-oxopropan-2-yl)benzenecarboximidic acid. With a topological polar surface area (TPSA) of 55.4 Ų, N-(3-Chloro-1-ethoxy-1-oxopropan-2-yl)benzenecarboximidic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-Chloro-1-ethoxy-1-oxopropan-2-yl)benzenecarboximidic acid 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 N-(3-Chloro-1-ethoxy-1-oxopropan-2-yl)benzenecarboximidic acid?
The CAS number of N-(3-Chloro-1-ethoxy-1-oxopropan-2-yl)benzenecarboximidic acid is 38523-97-6.
What is the molecular formula of N-(3-Chloro-1-ethoxy-1-oxopropan-2-yl)benzenecarboximidic acid?
The molecular formula of N-(3-Chloro-1-ethoxy-1-oxopropan-2-yl)benzenecarboximidic acid is C12H14ClNO3.
What is the molecular weight of N-(3-Chloro-1-ethoxy-1-oxopropan-2-yl)benzenecarboximidic acid?
The molecular weight of N-(3-Chloro-1-ethoxy-1-oxopropan-2-yl)benzenecarboximidic acid is 255.07 g/mol.
Where can I buy N-(3-Chloro-1-ethoxy-1-oxopropan-2-yl)benzenecarboximidic acid?
You can request a quote for N-(3-Chloro-1-ethoxy-1-oxopropan-2-yl)benzenecarboximidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Chloro-1-ethoxy-1-oxopropan-2-yl)benzenecarboximidic acid?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Chloro-1-ethoxy-1-oxopropan-2-yl)benzenecarboximidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.