2-(3,4-Dimethylbenzenesulfonamido)-3-hydroxybutanoic acid
TL;DR: 2-(3,4-Dimethylbenzenesulfonamido)-3-hydroxybutanoic acid (CAS 1008068-91-4) is a chemical compound with molecular formula C12H17NO5S and molecular weight 287.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,4-dimethylphenyl)sulfonylamino]-3-hydroxybutanoic acid
Also Known As: 2-(3,4-dimethylbenzenesulfonamido)-3-hydroxybutanoic acid, N-[(3,4-Dimethylphenyl)sulfonyl]threonine, N-((3,4-Dimethylphenyl)sulfonyl)threonine, N-(3,4-Dimethylbenzene-1-sulfonyl)threonine, 2-{[(3,4-dimethylphenyl)sulfonyl]amino}-3-hydroxybutanoic acid
| Molecular Formula | C12H17NO5S |
|---|---|
| Molecular Weight | 287.08 g/mol |
| LogP | 0.41574 |
| Topological Polar Surface Area | 103.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.08273 |
| Heavy Atoms | 19 |
| Complexity | 579.7826 |
Chemical Identifiers
| CAS Number | 1008068-91-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)NC(C(C)O)C(=O)O)C |
Product Overview
2-(3,4-Dimethylbenzenesulfonamido)-3-hydroxybutanoic acid (CAS 1008068-91-4), with molecular formula C12H17NO5S and molecular weight 287.08 g/mol. IUPAC: 2-[(3,4-dimethylphenyl)sulfonylamino]-3-hydroxybutanoic acid.
Chemical Property Profile of 2-(3,4-Dimethylbenzenesulfonamido)-3-hydroxybutanoic acid
Property Insights of 2-(3,4-Dimethylbenzenesulfonamido)-3-hydroxybutanoic acid
The XLogP value of 0.41574 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,4-Dimethylbenzenesulfonamido)-3-hydroxybutanoic acid. The TPSA of 103.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4-Dimethylbenzenesulfonamido)-3-hydroxybutanoic acid. Following Lipinski's Rule of Five, 2-(3,4-Dimethylbenzenesulfonamido)-3-hydroxybutanoic acid has 3 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 2-(3,4-Dimethylbenzenesulfonamido)-3-hydroxybutanoic acid?
The CAS number of 2-(3,4-Dimethylbenzenesulfonamido)-3-hydroxybutanoic acid is 1008068-91-4.
What is the molecular formula of 2-(3,4-Dimethylbenzenesulfonamido)-3-hydroxybutanoic acid?
The molecular formula of 2-(3,4-Dimethylbenzenesulfonamido)-3-hydroxybutanoic acid is C12H17NO5S.
What is the molecular weight of 2-(3,4-Dimethylbenzenesulfonamido)-3-hydroxybutanoic acid?
The molecular weight of 2-(3,4-Dimethylbenzenesulfonamido)-3-hydroxybutanoic acid is 287.08 g/mol.
Where can I buy 2-(3,4-Dimethylbenzenesulfonamido)-3-hydroxybutanoic acid?
You can request a quote for 2-(3,4-Dimethylbenzenesulfonamido)-3-hydroxybutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,4-Dimethylbenzenesulfonamido)-3-hydroxybutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-Dimethylbenzenesulfonamido)-3-hydroxybutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.