![N-{3-[(acetylcarbamothioyl)amino]-4-chlorophenyl}butanamide structure](/static/products/639/639050-64-9.png)
N-{3-[(acetylcarbamothioyl)amino]-4-chlorophenyl}butanamide
TL;DR: N-{3-[(acetylcarbamothioyl)amino]-4-chlorophenyl}butanamide (CAS 639050-64-9) is a chemical compound with molecular formula C13H16ClN3O2S and molecular weight 313.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(acetylcarbamothioylamino)-4-chlorophenyl]butanamide
Also Known As: N-{3-[(acetylcarbamothioyl)amino]-4-chlorophenyl}butanamide, N-[3-(acetylcarbamothioylamino)-4-chlorophenyl]butanamide
| Molecular Formula | C13H16ClN3O2S |
|---|---|
| Molecular Weight | 313.07 g/mol |
| LogP | 2.9115 |
| Topological Polar Surface Area | 70.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.0652 |
| Heavy Atoms | 20 |
| Complexity | 534.3476 |
Chemical Identifiers
| CAS Number | 639050-64-9 |
|---|---|
| SMILES | CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)C |
Product Overview
N-{3-[(acetylcarbamothioyl)amino]-4-chlorophenyl}butanamide (CAS 639050-64-9), with molecular formula C13H16ClN3O2S and molecular weight 313.07 g/mol. IUPAC: N-[3-(acetylcarbamothioylamino)-4-chlorophenyl]butanamide.
Chemical Property Profile of N-{3-[(acetylcarbamothioyl)amino]-4-chlorophenyl}butanamide
Property Insights of N-{3-[(acetylcarbamothioyl)amino]-4-chlorophenyl}butanamide
The XLogP value of 2.9115 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-{3-[(acetylcarbamothioyl)amino]-4-chlorophenyl}butanamide. The TPSA of 70.23 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{3-[(acetylcarbamothioyl)amino]-4-chlorophenyl}butanamide. Following Lipinski's Rule of Five, N-{3-[(acetylcarbamothioyl)amino]-4-chlorophenyl}butanamide has 3 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-[(acetylcarbamothioyl)amino]-4-chlorophenyl}butanamide?
The CAS number of N-{3-[(acetylcarbamothioyl)amino]-4-chlorophenyl}butanamide is 639050-64-9.
What is the molecular formula of N-{3-[(acetylcarbamothioyl)amino]-4-chlorophenyl}butanamide?
The molecular formula of N-{3-[(acetylcarbamothioyl)amino]-4-chlorophenyl}butanamide is C13H16ClN3O2S.
What is the molecular weight of N-{3-[(acetylcarbamothioyl)amino]-4-chlorophenyl}butanamide?
The molecular weight of N-{3-[(acetylcarbamothioyl)amino]-4-chlorophenyl}butanamide is 313.07 g/mol.
Where can I buy N-{3-[(acetylcarbamothioyl)amino]-4-chlorophenyl}butanamide?
You can request a quote for N-{3-[(acetylcarbamothioyl)amino]-4-chlorophenyl}butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{3-[(acetylcarbamothioyl)amino]-4-chlorophenyl}butanamide?
Yes, KEHONG BIO provides custom synthesis services for N-{3-[(acetylcarbamothioyl)amino]-4-chlorophenyl}butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.