![N-[4-(3-Acetyl-thioureido)-phenyl]-2-chloro-nicotinamide structure](/static/products/637/637305-19-2.png)
N-[4-(3-Acetyl-thioureido)-phenyl]-2-chloro-nicotinamide
TL;DR: N-[4-(3-Acetyl-thioureido)-phenyl]-2-chloro-nicotinamide (CAS 637305-19-2) is a chemical compound with molecular formula C15H13ClN4O2S and molecular weight 348.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(acetylcarbamothioylamino)phenyl]-2-chloropyridine-3-carboxamide
Also Known As: N-(4-(3-acetylthioureido)phenyl)-2-chloronicotinamide, N-[4-(3-Acetyl-thioureido)-phenyl]-2-chloro-nicotinamide, N-[4-(acetylcarbamothioylamino)phenyl]-2-chloropyridine-3-carboxamide, N'-acetyl-N-(4-{[(2-chloropyridin-3-yl)carbonyl]amino}phenyl)carbamimidothioic acid
| Molecular Formula | C15H13ClN4O2S |
|---|---|
| Molecular Weight | 348.04 g/mol |
| LogP | 2.8202 |
| Topological Polar Surface Area | 83.12 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.04477 |
| Heavy Atoms | 23 |
| Complexity | 749.39703 |
Chemical Identifiers
| CAS Number | 637305-19-2 |
|---|---|
| SMILES | CC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)Cl |
Product Overview
N-[4-(3-Acetyl-thioureido)-phenyl]-2-chloro-nicotinamide (CAS 637305-19-2), with molecular formula C15H13ClN4O2S and molecular weight 348.04 g/mol. IUPAC: N-[4-(acetylcarbamothioylamino)phenyl]-2-chloropyridine-3-carboxamide.
Chemical Property Profile of N-[4-(3-Acetyl-thioureido)-phenyl]-2-chloro-nicotinamide
Property Insights of N-[4-(3-Acetyl-thioureido)-phenyl]-2-chloro-nicotinamide
The XLogP value of 2.8202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[4-(3-Acetyl-thioureido)-phenyl]-2-chloro-nicotinamide. The TPSA of 83.12 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-(3-Acetyl-thioureido)-phenyl]-2-chloro-nicotinamide. Following Lipinski's Rule of Five, N-[4-(3-Acetyl-thioureido)-phenyl]-2-chloro-nicotinamide has 3 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 N-[4-(3-Acetyl-thioureido)-phenyl]-2-chloro-nicotinamide?
The CAS number of N-[4-(3-Acetyl-thioureido)-phenyl]-2-chloro-nicotinamide is 637305-19-2.
What is the molecular formula of N-[4-(3-Acetyl-thioureido)-phenyl]-2-chloro-nicotinamide?
The molecular formula of N-[4-(3-Acetyl-thioureido)-phenyl]-2-chloro-nicotinamide is C15H13ClN4O2S.
What is the molecular weight of N-[4-(3-Acetyl-thioureido)-phenyl]-2-chloro-nicotinamide?
The molecular weight of N-[4-(3-Acetyl-thioureido)-phenyl]-2-chloro-nicotinamide is 348.04 g/mol.
Where can I buy N-[4-(3-Acetyl-thioureido)-phenyl]-2-chloro-nicotinamide?
You can request a quote for N-[4-(3-Acetyl-thioureido)-phenyl]-2-chloro-nicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-(3-Acetyl-thioureido)-phenyl]-2-chloro-nicotinamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(3-Acetyl-thioureido)-phenyl]-2-chloro-nicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.