(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-4-methylsulfanylbutanoic acid
TL;DR: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-4-methylsulfanylbutanoic acid (CAS 956129-50-3) 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.
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-4-methylsulfanylbutanoic acid
Also Known As: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-4-methylsulfanylbutanoic acid, (S)-2-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ureido)-4-(methylthio)butanoic acid, 2-(7,10-dioxabicyclo[4.4.0]deca-2,4,11-trien-3-ylcarbamoylamino)-4-methylsulfanyl-butanoic Acid
| Molecular Formula | C14H18N2O5S |
|---|---|
| Molecular Weight | 326.09 g/mol |
| LogP | 1.7856 |
| Topological Polar Surface Area | 96.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 326.09363 |
| Heavy Atoms | 22 |
| Complexity | 552.0348 |
Chemical Identifiers
| CAS Number | 956129-50-3 |
|---|---|
| SMILES | CSCC[C@@H](C(=O)O)NC(=O)NC1=CC2=C(C=C1)OCCO2 |
Product Overview
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-4-methylsulfanylbutanoic acid (CAS 956129-50-3), with molecular formula C14H18N2O5S and molecular weight 326.09 g/mol. IUPAC: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-4-methylsulfanylbutanoic acid.
Chemical Property Profile of (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-4-methylsulfanylbutanoic acid
Property Insights of (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-4-methylsulfanylbutanoic acid
The XLogP value of 1.7856 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-4-methylsulfanylbutanoic acid. The TPSA of 96.89 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-4-methylsulfanylbutanoic acid. Following Lipinski's Rule of Five, (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-4-methylsulfanylbutanoic 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 (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-4-methylsulfanylbutanoic acid?
The CAS number of (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-4-methylsulfanylbutanoic acid is 956129-50-3.
What is the molecular formula of (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-4-methylsulfanylbutanoic acid?
The molecular formula of (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-4-methylsulfanylbutanoic acid is C14H18N2O5S.
What is the molecular weight of (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-4-methylsulfanylbutanoic acid?
The molecular weight of (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-4-methylsulfanylbutanoic acid is 326.09 g/mol.
Where can I buy (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-4-methylsulfanylbutanoic acid?
You can request a quote for (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-4-methylsulfanylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-4-methylsulfanylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-4-methylsulfanylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.