![(S)-methyl 2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-(methylthio)butanoate structure](/static/products/956/956048-30-9.png)
(S)-methyl 2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-(methylthio)butanoate
TL;DR: (S)-methyl 2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-(methylthio)butanoate (CAS 956048-30-9) is a chemical compound with molecular formula C14H18N2O5S and molecular weight 326.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-(1,3-benzodioxol-5-ylcarbamoylamino)-4-methylsulfanylbutanoate
Also Known As: (S)-methyl 2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-(methylthio)butanoate, methyl (2S)-2-(1,3-benzodioxol-5-ylcarbamoylamino)-4-methylsulfanylbutanoate
| Molecular Formula | C14H18N2O5S |
|---|---|
| Molecular Weight | 326.09 g/mol |
| LogP | 1.8315 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 326.09363 |
| Heavy Atoms | 22 |
| Complexity | 552.0348 |
Chemical Identifiers
| CAS Number | 956048-30-9 |
|---|---|
| SMILES | COC(=O)[C@H](CCSC)NC(=O)NC1=CC2=C(C=C1)OCO2 |
Product Overview
(S)-methyl 2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-(methylthio)butanoate (CAS 956048-30-9), with molecular formula C14H18N2O5S and molecular weight 326.09 g/mol. IUPAC: methyl (2S)-2-(1,3-benzodioxol-5-ylcarbamoylamino)-4-methylsulfanylbutanoate.
Chemical Property Profile of (S)-methyl 2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-(methylthio)butanoate
Property Insights of (S)-methyl 2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-(methylthio)butanoate
The XLogP value of 1.8315 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-methyl 2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-(methylthio)butanoate. The TPSA of 85.89 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-methyl 2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-(methylthio)butanoate. Following Lipinski's Rule of Five, (S)-methyl 2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-(methylthio)butanoate has 2 hydrogen bond donor(s) and 6 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)-methyl 2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-(methylthio)butanoate?
The CAS number of (S)-methyl 2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-(methylthio)butanoate is 956048-30-9.
What is the molecular formula of (S)-methyl 2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-(methylthio)butanoate?
The molecular formula of (S)-methyl 2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-(methylthio)butanoate is C14H18N2O5S.
What is the molecular weight of (S)-methyl 2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-(methylthio)butanoate?
The molecular weight of (S)-methyl 2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-(methylthio)butanoate is 326.09 g/mol.
Where can I buy (S)-methyl 2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-(methylthio)butanoate?
You can request a quote for (S)-methyl 2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-(methylthio)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-methyl 2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-(methylthio)butanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-methyl 2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)-4-(methylthio)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.