4-acetamido-5-chloro-N-(cyanomethyl)-2-methoxybenzamide
TL;DR: 4-acetamido-5-chloro-N-(cyanomethyl)-2-methoxybenzamide (CAS 838889-53-5) is a chemical compound with molecular formula C12H12ClN3O3 and molecular weight 281.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetamido-5-chloro-N-(cyanomethyl)-2-methoxybenzamide
Also Known As: 4-acetamido-5-chloro-N-(cyanomethyl)-2-methoxybenzamide, 4-(acetylamino)-5-chloro-N-(cyanomethyl)-2-methoxybenzamide, 5-CHLORO-N-(CYANOMETHYL)-4-ACETAMIDO-2-METHOXYBENZAMIDE, N-{2-chloro-4-[N-(cyanomethyl)carbamoyl]-5-methoxyphenyl}acetamide
| Molecular Formula | C12H12ClN3O3 |
|---|---|
| Molecular Weight | 281.06 g/mol |
| LogP | 1.56038 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.05673 |
| Heavy Atoms | 19 |
| Complexity | 551.886 |
Chemical Identifiers
| CAS Number | 838889-53-5 |
|---|---|
| SMILES | CC(=O)NC1=C(C=C(C(=C1)OC)C(=O)NCC#N)Cl |
Product Overview
4-acetamido-5-chloro-N-(cyanomethyl)-2-methoxybenzamide (CAS 838889-53-5), with molecular formula C12H12ClN3O3 and molecular weight 281.06 g/mol. IUPAC: 4-acetamido-5-chloro-N-(cyanomethyl)-2-methoxybenzamide.
Chemical Property Profile of 4-acetamido-5-chloro-N-(cyanomethyl)-2-methoxybenzamide
Property Insights of 4-acetamido-5-chloro-N-(cyanomethyl)-2-methoxybenzamide
The XLogP value of 1.56038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-acetamido-5-chloro-N-(cyanomethyl)-2-methoxybenzamide. The TPSA of 91.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-acetamido-5-chloro-N-(cyanomethyl)-2-methoxybenzamide. Following Lipinski's Rule of Five, 4-acetamido-5-chloro-N-(cyanomethyl)-2-methoxybenzamide has 2 hydrogen bond donor(s) and 4 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-acetamido-5-chloro-N-(cyanomethyl)-2-methoxybenzamide?
The CAS number of 4-acetamido-5-chloro-N-(cyanomethyl)-2-methoxybenzamide is 838889-53-5.
What is the molecular formula of 4-acetamido-5-chloro-N-(cyanomethyl)-2-methoxybenzamide?
The molecular formula of 4-acetamido-5-chloro-N-(cyanomethyl)-2-methoxybenzamide is C12H12ClN3O3.
What is the molecular weight of 4-acetamido-5-chloro-N-(cyanomethyl)-2-methoxybenzamide?
The molecular weight of 4-acetamido-5-chloro-N-(cyanomethyl)-2-methoxybenzamide is 281.06 g/mol.
Where can I buy 4-acetamido-5-chloro-N-(cyanomethyl)-2-methoxybenzamide?
You can request a quote for 4-acetamido-5-chloro-N-(cyanomethyl)-2-methoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-acetamido-5-chloro-N-(cyanomethyl)-2-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-acetamido-5-chloro-N-(cyanomethyl)-2-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.