![N-{(2R)-2-[(2H-1,3-Benzodioxol-5-yl)methyl]-3-sulfanylpropanoyl}-D-alanine structure](/static/products/135/135038-59-4.png)
N-{(2R)-2-[(2H-1,3-Benzodioxol-5-yl)methyl]-3-sulfanylpropanoyl}-D-alanine
TL;DR: N-{(2R)-2-[(2H-1,3-Benzodioxol-5-yl)methyl]-3-sulfanylpropanoyl}-D-alanine (CAS 135038-59-4) is a chemical compound with molecular formula C14H17NO5S and molecular weight 311.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[[(2R)-2-(1,3-benzodioxol-5-ylmethyl)-3-sulfanylpropanoyl]amino]propanoic acid
Also Known As: Aladotrilat, Fasidotrilat, (2R)-2-[[(2R)-2-(1,3-benzodioxol-5-ylmethyl)-3-sulfanylpropanoyl]amino]propanoic acid, N-{(2R)-2-[(2H-1,3-Benzodioxol-5-yl)methyl]-3-sulfanylpropanoyl}-D-alanine
| Molecular Formula | C14H17NO5S |
|---|---|
| Molecular Weight | 311.08 g/mol |
| LogP | 1.0931 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.08273 |
| Heavy Atoms | 21 |
| Complexity | 548.16595 |
Chemical Identifiers
| CAS Number | 135038-59-4 |
|---|---|
| SMILES | C[C@H](C(=O)O)NC(=O)[C@@H](CC1=CC2=C(C=C1)OCO2)CS |
Product Overview
N-{(2R)-2-[(2H-1,3-Benzodioxol-5-yl)methyl]-3-sulfanylpropanoyl}-D-alanine (CAS 135038-59-4), with molecular formula C14H17NO5S and molecular weight 311.08 g/mol. IUPAC: (2R)-2-[[(2R)-2-(1,3-benzodioxol-5-ylmethyl)-3-sulfanylpropanoyl]amino]propanoic acid.
Chemical Property Profile of N-{(2R)-2-[(2H-1,3-Benzodioxol-5-yl)methyl]-3-sulfanylpropanoyl}-D-alanine
Property Insights of N-{(2R)-2-[(2H-1,3-Benzodioxol-5-yl)methyl]-3-sulfanylpropanoyl}-D-alanine
The XLogP value of 1.0931 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-{(2R)-2-[(2H-1,3-Benzodioxol-5-yl)methyl]-3-sulfanylpropanoyl}-D-alanine. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{(2R)-2-[(2H-1,3-Benzodioxol-5-yl)methyl]-3-sulfanylpropanoyl}-D-alanine. Following Lipinski's Rule of Five, N-{(2R)-2-[(2H-1,3-Benzodioxol-5-yl)methyl]-3-sulfanylpropanoyl}-D-alanine 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 N-{(2R)-2-[(2H-1,3-Benzodioxol-5-yl)methyl]-3-sulfanylpropanoyl}-D-alanine?
The CAS number of N-{(2R)-2-[(2H-1,3-Benzodioxol-5-yl)methyl]-3-sulfanylpropanoyl}-D-alanine is 135038-59-4.
What is the molecular formula of N-{(2R)-2-[(2H-1,3-Benzodioxol-5-yl)methyl]-3-sulfanylpropanoyl}-D-alanine?
The molecular formula of N-{(2R)-2-[(2H-1,3-Benzodioxol-5-yl)methyl]-3-sulfanylpropanoyl}-D-alanine is C14H17NO5S.
What is the molecular weight of N-{(2R)-2-[(2H-1,3-Benzodioxol-5-yl)methyl]-3-sulfanylpropanoyl}-D-alanine?
The molecular weight of N-{(2R)-2-[(2H-1,3-Benzodioxol-5-yl)methyl]-3-sulfanylpropanoyl}-D-alanine is 311.08 g/mol.
Where can I buy N-{(2R)-2-[(2H-1,3-Benzodioxol-5-yl)methyl]-3-sulfanylpropanoyl}-D-alanine?
You can request a quote for N-{(2R)-2-[(2H-1,3-Benzodioxol-5-yl)methyl]-3-sulfanylpropanoyl}-D-alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{(2R)-2-[(2H-1,3-Benzodioxol-5-yl)methyl]-3-sulfanylpropanoyl}-D-alanine?
Yes, KEHONG BIO provides custom synthesis services for N-{(2R)-2-[(2H-1,3-Benzodioxol-5-yl)methyl]-3-sulfanylpropanoyl}-D-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.