4-(3-Methylbutanoylcarbamothioylamino)benzamide
TL;DR: 4-(3-Methylbutanoylcarbamothioylamino)benzamide (CAS 791792-00-2) is a chemical compound with molecular formula C13H17N3O2S and molecular weight 279.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-methylbutanoylcarbamothioylamino)benzamide
Also Known As: 4-(3-methylbutanoylcarbamothioylamino)benzamide, 4-{[(3-methylbutanoyl)carbamothioyl]amino}benzamide, AN-329/42607801, 4-({[(3-methylbutanoyl)amino]carbonothioyl}amino)benzamide, 4-({[(3-methylbutanoyl)amino]carbothioyl}amino)benzamide
| Molecular Formula | C13H17N3O2S |
|---|---|
| Molecular Weight | 279.10 g/mol |
| LogP | 1.6446 |
| Topological Polar Surface Area | 84.22 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.10416 |
| Heavy Atoms | 19 |
| Complexity | 483.16663 |
Chemical Identifiers
| CAS Number | 791792-00-2 |
|---|---|
| SMILES | CC(C)CC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)N |
Product Overview
4-(3-Methylbutanoylcarbamothioylamino)benzamide (CAS 791792-00-2), with molecular formula C13H17N3O2S and molecular weight 279.10 g/mol. IUPAC: 4-(3-methylbutanoylcarbamothioylamino)benzamide.
Chemical Property Profile of 4-(3-Methylbutanoylcarbamothioylamino)benzamide
Property Insights of 4-(3-Methylbutanoylcarbamothioylamino)benzamide
The XLogP value of 1.6446 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Methylbutanoylcarbamothioylamino)benzamide. The TPSA of 84.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Methylbutanoylcarbamothioylamino)benzamide. Following Lipinski's Rule of Five, 4-(3-Methylbutanoylcarbamothioylamino)benzamide 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 4-(3-Methylbutanoylcarbamothioylamino)benzamide?
The CAS number of 4-(3-Methylbutanoylcarbamothioylamino)benzamide is 791792-00-2.
What is the molecular formula of 4-(3-Methylbutanoylcarbamothioylamino)benzamide?
The molecular formula of 4-(3-Methylbutanoylcarbamothioylamino)benzamide is C13H17N3O2S.
What is the molecular weight of 4-(3-Methylbutanoylcarbamothioylamino)benzamide?
The molecular weight of 4-(3-Methylbutanoylcarbamothioylamino)benzamide is 279.10 g/mol.
Where can I buy 4-(3-Methylbutanoylcarbamothioylamino)benzamide?
You can request a quote for 4-(3-Methylbutanoylcarbamothioylamino)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Methylbutanoylcarbamothioylamino)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Methylbutanoylcarbamothioylamino)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.