![(S)-2-[3-(4-Fluoro-benzyl)-ureido]-4-methylsulfanyl-butyric acid methyl ester structure](/static/products/958/958982-85-9.png)
(S)-2-[3-(4-Fluoro-benzyl)-ureido]-4-methylsulfanyl-butyric acid methyl ester
TL;DR: (S)-2-[3-(4-Fluoro-benzyl)-ureido]-4-methylsulfanyl-butyric acid methyl ester (CAS 958982-85-9) is a chemical compound with molecular formula C14H19FN2O3S and molecular weight 314.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-4-methylsulfanylbutanoate
Also Known As: (S)-methyl 2-(3-(4-fluorobenzyl)ureido)-4-(methylthio)butanoate, (S)-2-[3-(4-Fluoro-benzyl)-ureido]-4-methylsulfanyl-butyric acid methyl ester, methyl (2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-4-methylsulfanylbutanoate
| Molecular Formula | C14H19FN2O3S |
|---|---|
| Molecular Weight | 314.11 g/mol |
| LogP | 1.9196 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 314.11005 |
| Heavy Atoms | 21 |
| Complexity | 467.79184 |
Chemical Identifiers
| CAS Number | 958982-85-9 |
|---|---|
| SMILES | COC(=O)[C@H](CCSC)NC(=O)NCC1=CC=C(C=C1)F |
Product Overview
(S)-2-[3-(4-Fluoro-benzyl)-ureido]-4-methylsulfanyl-butyric acid methyl ester (CAS 958982-85-9), with molecular formula C14H19FN2O3S and molecular weight 314.11 g/mol. IUPAC: methyl (2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-4-methylsulfanylbutanoate.
Chemical Property Profile of (S)-2-[3-(4-Fluoro-benzyl)-ureido]-4-methylsulfanyl-butyric acid methyl ester
Property Insights of (S)-2-[3-(4-Fluoro-benzyl)-ureido]-4-methylsulfanyl-butyric acid methyl ester
The XLogP value of 1.9196 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-[3-(4-Fluoro-benzyl)-ureido]-4-methylsulfanyl-butyric acid methyl ester. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-[3-(4-Fluoro-benzyl)-ureido]-4-methylsulfanyl-butyric acid methyl ester. Following Lipinski's Rule of Five, (S)-2-[3-(4-Fluoro-benzyl)-ureido]-4-methylsulfanyl-butyric acid methyl ester has 2 hydrogen bond donor(s) and 4 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-(4-Fluoro-benzyl)-ureido]-4-methylsulfanyl-butyric acid methyl ester?
The CAS number of (S)-2-[3-(4-Fluoro-benzyl)-ureido]-4-methylsulfanyl-butyric acid methyl ester is 958982-85-9.
What is the molecular formula of (S)-2-[3-(4-Fluoro-benzyl)-ureido]-4-methylsulfanyl-butyric acid methyl ester?
The molecular formula of (S)-2-[3-(4-Fluoro-benzyl)-ureido]-4-methylsulfanyl-butyric acid methyl ester is C14H19FN2O3S.
What is the molecular weight of (S)-2-[3-(4-Fluoro-benzyl)-ureido]-4-methylsulfanyl-butyric acid methyl ester?
The molecular weight of (S)-2-[3-(4-Fluoro-benzyl)-ureido]-4-methylsulfanyl-butyric acid methyl ester is 314.11 g/mol.
Where can I buy (S)-2-[3-(4-Fluoro-benzyl)-ureido]-4-methylsulfanyl-butyric acid methyl ester?
You can request a quote for (S)-2-[3-(4-Fluoro-benzyl)-ureido]-4-methylsulfanyl-butyric acid methyl ester 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-(4-Fluoro-benzyl)-ureido]-4-methylsulfanyl-butyric acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-[3-(4-Fluoro-benzyl)-ureido]-4-methylsulfanyl-butyric acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.