![(S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-(methylthio)butanoic acid structure](/static/products/956/956046-14-3.png)
(S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-(methylthio)butanoic acid
TL;DR: (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-(methylthio)butanoic acid (CAS 956046-14-3) is a chemical compound with molecular formula C13H16N2O5S and molecular weight 312.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-(1,3-benzodioxol-5-ylcarbamoylamino)-4-methylsulfanylbutanoic acid
Also Known As: (2S)-2-(1,3-benzodioxol-5-ylcarbamoylamino)-4-methylsulfanylbutanoic acid, (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-(methylthio)butanoic acid, 2-(benzo[1,3]dioxol-5-ylcarbamoylamino)-4-methylsulfanyl-butanoic Acid
| Molecular Formula | C13H16N2O5S |
|---|---|
| Molecular Weight | 312.08 g/mol |
| LogP | 1.7431 |
| Topological Polar Surface Area | 96.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 312.078 |
| Heavy Atoms | 21 |
| Complexity | 537.29297 |
Chemical Identifiers
| CAS Number | 956046-14-3 |
|---|---|
| SMILES | CSCC[C@@H](C(=O)O)NC(=O)NC1=CC2=C(C=C1)OCO2 |
Product Overview
(S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-(methylthio)butanoic acid (CAS 956046-14-3), with molecular formula C13H16N2O5S and molecular weight 312.08 g/mol. IUPAC: (2S)-2-(1,3-benzodioxol-5-ylcarbamoylamino)-4-methylsulfanylbutanoic acid.
Chemical Property Profile of (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-(methylthio)butanoic acid
Property Insights of (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-(methylthio)butanoic acid
The XLogP value of 1.7431 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-(methylthio)butanoic acid. The TPSA of 96.89 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-(methylthio)butanoic acid. Following Lipinski's Rule of Five, (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-(methylthio)butanoic acid has 3 hydrogen bond donor(s) and 5 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-(benzo[d][1,3]dioxol-5-yl)ureido)-4-(methylthio)butanoic acid?
The CAS number of (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-(methylthio)butanoic acid is 956046-14-3.
What is the molecular formula of (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-(methylthio)butanoic acid?
The molecular formula of (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-(methylthio)butanoic acid is C13H16N2O5S.
What is the molecular weight of (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-(methylthio)butanoic acid?
The molecular weight of (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-(methylthio)butanoic acid is 312.08 g/mol.
Where can I buy (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-(methylthio)butanoic acid?
You can request a quote for (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-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-(benzo[d][1,3]dioxol-5-yl)ureido)-4-(methylthio)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-(methylthio)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.