N-(phenylcarbamothioyl)valine
TL;DR: N-(phenylcarbamothioyl)valine (CAS 755746-78-2) is a chemical compound with molecular formula C12H16N2O2S and molecular weight 252.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-(phenylcarbamothioylamino)butanoic acid
Also Known As: N-(phenylcarbamothioyl)valine, N-(Anilinocarbothioyl)valine #, Valine, N-thiocarbophenylamino-, 3-methyl-2-(3-phenylthioureido)butanoic acid, 3-Methyl-2-(3-phenyl-thioureido)-butyric acid
| Molecular Formula | C12H16N2O2S |
|---|---|
| Molecular Weight | 252.09 g/mol |
| LogP | 2.0822 |
| Topological Polar Surface Area | 61.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.09325 |
| Heavy Atoms | 17 |
| Complexity | 392.75192 |
Chemical Identifiers
| CAS Number | 755746-78-2 |
|---|---|
| SMILES | CC(C)C(C(=O)O)NC(=S)NC1=CC=CC=C1 |
Product Overview
N-(phenylcarbamothioyl)valine (CAS 755746-78-2), with molecular formula C12H16N2O2S and molecular weight 252.09 g/mol. IUPAC: 3-methyl-2-(phenylcarbamothioylamino)butanoic acid.
Chemical Property Profile of N-(phenylcarbamothioyl)valine
Property Insights of N-(phenylcarbamothioyl)valine
The XLogP value of 2.0822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(phenylcarbamothioyl)valine. The TPSA of 61.36 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(phenylcarbamothioyl)valine. Following Lipinski's Rule of Five, N-(phenylcarbamothioyl)valine has 3 hydrogen bond donor(s) and 2 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-(phenylcarbamothioyl)valine?
The CAS number of N-(phenylcarbamothioyl)valine is 755746-78-2.
What is the molecular formula of N-(phenylcarbamothioyl)valine?
The molecular formula of N-(phenylcarbamothioyl)valine is C12H16N2O2S.
What is the molecular weight of N-(phenylcarbamothioyl)valine?
The molecular weight of N-(phenylcarbamothioyl)valine is 252.09 g/mol.
Where can I buy N-(phenylcarbamothioyl)valine?
You can request a quote for N-(phenylcarbamothioyl)valine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(phenylcarbamothioyl)valine?
Yes, KEHONG BIO provides custom synthesis services for N-(phenylcarbamothioyl)valine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.