(2S)-2-(1,3-benzothiazol-2-ylamino)-4-methylsulfanylbutanoic acid
TL;DR: (2S)-2-(1,3-benzothiazol-2-ylamino)-4-methylsulfanylbutanoic acid (CAS 436810-97-8) is a chemical compound with molecular formula C12H14N2O2S2 and molecular weight 282.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-(1,3-benzothiazol-2-ylamino)-4-methylsulfanylbutanoic acid
Also Known As: 2-(benzothiazol-2-ylamino)-4-methylsulfanylbutyric acid, 2-(Benzothiazol-2-ylamino)-4-methylsulfanyl-butyric acid, (2S)-2-(1,3-benzothiazol-2-ylamino)-4-methylsulfanylbutanoic acid
| Molecular Formula | C12H14N2O2S2 |
|---|---|
| Molecular Weight | 282.05 g/mol |
| LogP | 2.9145 |
| Topological Polar Surface Area | 62.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 282.04968 |
| Heavy Atoms | 18 |
| Complexity | 508.61185 |
Chemical Identifiers
| CAS Number | 436810-97-8 |
|---|---|
| SMILES | CSCC[C@@H](C(=O)O)NC1=NC2=CC=CC=C2S1 |
Product Overview
(2S)-2-(1,3-benzothiazol-2-ylamino)-4-methylsulfanylbutanoic acid (CAS 436810-97-8), with molecular formula C12H14N2O2S2 and molecular weight 282.05 g/mol. IUPAC: (2S)-2-(1,3-benzothiazol-2-ylamino)-4-methylsulfanylbutanoic acid.
Chemical Property Profile of (2S)-2-(1,3-benzothiazol-2-ylamino)-4-methylsulfanylbutanoic acid
Property Insights of (2S)-2-(1,3-benzothiazol-2-ylamino)-4-methylsulfanylbutanoic acid
The XLogP value of 2.9145 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-(1,3-benzothiazol-2-ylamino)-4-methylsulfanylbutanoic acid. The TPSA of 62.22 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-(1,3-benzothiazol-2-ylamino)-4-methylsulfanylbutanoic acid. Following Lipinski's Rule of Five, (2S)-2-(1,3-benzothiazol-2-ylamino)-4-methylsulfanylbutanoic acid has 2 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-(1,3-benzothiazol-2-ylamino)-4-methylsulfanylbutanoic acid?
The CAS number of (2S)-2-(1,3-benzothiazol-2-ylamino)-4-methylsulfanylbutanoic acid is 436810-97-8.
What is the molecular formula of (2S)-2-(1,3-benzothiazol-2-ylamino)-4-methylsulfanylbutanoic acid?
The molecular formula of (2S)-2-(1,3-benzothiazol-2-ylamino)-4-methylsulfanylbutanoic acid is C12H14N2O2S2.
What is the molecular weight of (2S)-2-(1,3-benzothiazol-2-ylamino)-4-methylsulfanylbutanoic acid?
The molecular weight of (2S)-2-(1,3-benzothiazol-2-ylamino)-4-methylsulfanylbutanoic acid is 282.05 g/mol.
Where can I buy (2S)-2-(1,3-benzothiazol-2-ylamino)-4-methylsulfanylbutanoic acid?
You can request a quote for (2S)-2-(1,3-benzothiazol-2-ylamino)-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-(1,3-benzothiazol-2-ylamino)-4-methylsulfanylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-(1,3-benzothiazol-2-ylamino)-4-methylsulfanylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.