(S)-2-(3-isobutylureido)-4-(methylthio)butanoic acid
TL;DR: (S)-2-(3-isobutylureido)-4-(methylthio)butanoic acid (CAS 956048-07-0) is a chemical compound with molecular formula C10H20N2O3S and molecular weight 248.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-(2-methylpropylcarbamoylamino)-4-methylsulfanylbutanoic acid
Also Known As: (S)-2-(3-isobutylureido)-4-(methylthio)butanoic acid, 2-(2-methylpropylcarbamoylamino)-4-methylsulfanyl-butanoic Acid, (2S)-2-(2-methylpropylcarbamoylamino)-4-methylsulfanylbutanoic acid
| Molecular Formula | C10H20N2O3S |
|---|---|
| Molecular Weight | 248.12 g/mol |
| LogP | 1.1479 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 248.11946 |
| Heavy Atoms | 16 |
| Complexity | 234.10403 |
Chemical Identifiers
| CAS Number | 956048-07-0 |
|---|---|
| SMILES | CC(C)CNC(=O)N[C@@H](CCSC)C(=O)O |
Product Overview
(S)-2-(3-isobutylureido)-4-(methylthio)butanoic acid (CAS 956048-07-0), with molecular formula C10H20N2O3S and molecular weight 248.12 g/mol. IUPAC: (2S)-2-(2-methylpropylcarbamoylamino)-4-methylsulfanylbutanoic acid.
Chemical Property Profile of (S)-2-(3-isobutylureido)-4-(methylthio)butanoic acid
Property Insights of (S)-2-(3-isobutylureido)-4-(methylthio)butanoic acid
The XLogP value of 1.1479 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-(3-isobutylureido)-4-(methylthio)butanoic acid. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-(3-isobutylureido)-4-(methylthio)butanoic acid. Following Lipinski's Rule of Five, (S)-2-(3-isobutylureido)-4-(methylthio)butanoic acid 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 (S)-2-(3-isobutylureido)-4-(methylthio)butanoic acid?
The CAS number of (S)-2-(3-isobutylureido)-4-(methylthio)butanoic acid is 956048-07-0.
What is the molecular formula of (S)-2-(3-isobutylureido)-4-(methylthio)butanoic acid?
The molecular formula of (S)-2-(3-isobutylureido)-4-(methylthio)butanoic acid is C10H20N2O3S.
What is the molecular weight of (S)-2-(3-isobutylureido)-4-(methylthio)butanoic acid?
The molecular weight of (S)-2-(3-isobutylureido)-4-(methylthio)butanoic acid is 248.12 g/mol.
Where can I buy (S)-2-(3-isobutylureido)-4-(methylthio)butanoic acid?
You can request a quote for (S)-2-(3-isobutylureido)-4-(methylthio)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-2-(3-isobutylureido)-4-(methylthio)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-(3-isobutylureido)-4-(methylthio)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.