![N-[[3-(benzylcarbamoyl)propanoylamino]thiocarbamoyl]benzamide structure](/static/products/6488/648860-63-3.webp)
N-[[3-(benzylcarbamoyl)propanoylamino]thiocarbamoyl]benzamide
TL;DR: N-[[3-(benzylcarbamoyl)propanoylamino]thiocarbamoyl]benzamide (CAS 648860-63-3) is a chemical compound with molecular formula C19H20N4O3S and molecular weight 384.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamothioyl]benzamide
Also Known As: N-[[3-(benzylcarbamoyl)propanoylamino]thiocarbamoyl]benzamide, 4-Oxo-4-[(phenylmethyl)amino]butanoic acid 2-[(benzoylamino)thioxomethyl]hydrazide, N-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamothioyl]benzamide, N-{2-[4-(Benzylamino)-4-oxobutanoyl]hydrazinecarbothioyl}benzamide
| Molecular Formula | C19H20N4O3S |
|---|---|
| Molecular Weight | 384.13 g/mol |
| LogP | 1.4187 |
| Topological Polar Surface Area | 99.33 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.1256 |
| Heavy Atoms | 27 |
| Complexity | 797.11676 |
Chemical Identifiers
| CAS Number | 648860-63-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC=CC=C2 |
Product Overview
N-[[3-(benzylcarbamoyl)propanoylamino]thiocarbamoyl]benzamide (CAS 648860-63-3), with molecular formula C19H20N4O3S and molecular weight 384.13 g/mol. IUPAC: N-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamothioyl]benzamide.
Chemical Property Profile of N-[[3-(benzylcarbamoyl)propanoylamino]thiocarbamoyl]benzamide
Property Insights of N-[[3-(benzylcarbamoyl)propanoylamino]thiocarbamoyl]benzamide
The XLogP value of 1.4187 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[[3-(benzylcarbamoyl)propanoylamino]thiocarbamoyl]benzamide. The TPSA of 99.33 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[3-(benzylcarbamoyl)propanoylamino]thiocarbamoyl]benzamide. Following Lipinski's Rule of Five, N-[[3-(benzylcarbamoyl)propanoylamino]thiocarbamoyl]benzamide has 4 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-[[3-(benzylcarbamoyl)propanoylamino]thiocarbamoyl]benzamide?
The CAS number of N-[[3-(benzylcarbamoyl)propanoylamino]thiocarbamoyl]benzamide is 648860-63-3.
What is the molecular formula of N-[[3-(benzylcarbamoyl)propanoylamino]thiocarbamoyl]benzamide?
The molecular formula of N-[[3-(benzylcarbamoyl)propanoylamino]thiocarbamoyl]benzamide is C19H20N4O3S.
What is the molecular weight of N-[[3-(benzylcarbamoyl)propanoylamino]thiocarbamoyl]benzamide?
The molecular weight of N-[[3-(benzylcarbamoyl)propanoylamino]thiocarbamoyl]benzamide is 384.13 g/mol.
Where can I buy N-[[3-(benzylcarbamoyl)propanoylamino]thiocarbamoyl]benzamide?
You can request a quote for N-[[3-(benzylcarbamoyl)propanoylamino]thiocarbamoyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[3-(benzylcarbamoyl)propanoylamino]thiocarbamoyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[3-(benzylcarbamoyl)propanoylamino]thiocarbamoyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.