![4-[[(4-Chlorophenyl)methylcarbamothioylamino]carbamoyl]benzamide structure](/static/products/7012/701276-21-3.webp)
4-[[(4-Chlorophenyl)methylcarbamothioylamino]carbamoyl]benzamide
TL;DR: 4-[[(4-Chlorophenyl)methylcarbamothioylamino]carbamoyl]benzamide (CAS 701276-21-3) is a chemical compound with molecular formula C16H15ClN4O2S and molecular weight 362.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(4-chlorophenyl)methylcarbamothioylamino]carbamoyl]benzamide
Also Known As: 4-[[(4-chlorophenyl)methylcarbamothioylamino]carbamoyl]benzamide, 4-({2-[(4-chlorobenzyl)carbamothioyl]hydrazinyl}carbonyl)benzamide, 4-{N-[({[(4-chlorophenyl)methyl]amino}thioxomethyl)amino]carbamoyl}benzamide
| Molecular Formula | C16H15ClN4O2S |
|---|---|
| Molecular Weight | 362.06 g/mol |
| LogP | 1.748 |
| Topological Polar Surface Area | 96.25 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.06042 |
| Heavy Atoms | 24 |
| Complexity | 747.6777 |
Chemical Identifiers
| CAS Number | 701276-21-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CNC(=S)NNC(=O)C2=CC=C(C=C2)C(=O)N)Cl |
Product Overview
4-[[(4-Chlorophenyl)methylcarbamothioylamino]carbamoyl]benzamide (CAS 701276-21-3), with molecular formula C16H15ClN4O2S and molecular weight 362.06 g/mol. IUPAC: 4-[[(4-chlorophenyl)methylcarbamothioylamino]carbamoyl]benzamide.
Chemical Property Profile of 4-[[(4-Chlorophenyl)methylcarbamothioylamino]carbamoyl]benzamide
Property Insights of 4-[[(4-Chlorophenyl)methylcarbamothioylamino]carbamoyl]benzamide
The XLogP value of 1.748 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[[(4-Chlorophenyl)methylcarbamothioylamino]carbamoyl]benzamide. The TPSA of 96.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[(4-Chlorophenyl)methylcarbamothioylamino]carbamoyl]benzamide. Following Lipinski's Rule of Five, 4-[[(4-Chlorophenyl)methylcarbamothioylamino]carbamoyl]benzamide has 4 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 4-[[(4-Chlorophenyl)methylcarbamothioylamino]carbamoyl]benzamide?
The CAS number of 4-[[(4-Chlorophenyl)methylcarbamothioylamino]carbamoyl]benzamide is 701276-21-3.
What is the molecular formula of 4-[[(4-Chlorophenyl)methylcarbamothioylamino]carbamoyl]benzamide?
The molecular formula of 4-[[(4-Chlorophenyl)methylcarbamothioylamino]carbamoyl]benzamide is C16H15ClN4O2S.
What is the molecular weight of 4-[[(4-Chlorophenyl)methylcarbamothioylamino]carbamoyl]benzamide?
The molecular weight of 4-[[(4-Chlorophenyl)methylcarbamothioylamino]carbamoyl]benzamide is 362.06 g/mol.
Where can I buy 4-[[(4-Chlorophenyl)methylcarbamothioylamino]carbamoyl]benzamide?
You can request a quote for 4-[[(4-Chlorophenyl)methylcarbamothioylamino]carbamoyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[(4-Chlorophenyl)methylcarbamothioylamino]carbamoyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-[[(4-Chlorophenyl)methylcarbamothioylamino]carbamoyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.