Benzeneacetic acid, alpha-methyl-4-(2-thiazolylamino)-
TL;DR: Benzeneacetic acid, alpha-methyl-4-(2-thiazolylamino)- (CAS 57648-11-0) is a chemical compound with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(1,3-thiazol-2-ylamino)phenyl]propanoic acid
Also Known As: 2-(4-(2-Thiazolylamino)phenyl)propionic acid, alpha-Methyl-4-(2-thiazolylamino)benzeneacetic acid, Benzeneacetic acid, alpha-methyl-4-(2-thiazolylamino)-, 2-[4-(2-thiazolylamino)phenyl]propionic acid, 2-[4-(1,3-thiazol-2-ylamino)phenyl]propanoic acid
| Molecular Formula | C12H12N2O2S |
|---|---|
| Molecular Weight | 248.06 g/mol |
| LogP | 3.0748 |
| Topological Polar Surface Area | 62.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.06195 |
| Heavy Atoms | 17 |
| Complexity | 493.734 |
Chemical Identifiers
| CAS Number | 57648-11-0 |
|---|---|
| SMILES | CC(C1=CC=C(C=C1)NC2=NC=CS2)C(=O)O |
Product Overview
Benzeneacetic acid, alpha-methyl-4-(2-thiazolylamino)- (CAS 57648-11-0), with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol. IUPAC: 2-[4-(1,3-thiazol-2-ylamino)phenyl]propanoic acid.
Chemical Property Profile of Benzeneacetic acid, alpha-methyl-4-(2-thiazolylamino)-
Property Insights of Benzeneacetic acid, alpha-methyl-4-(2-thiazolylamino)-
The XLogP value of 3.0748 indicates that Benzeneacetic acid, alpha-methyl-4-(2-thiazolylamino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetic acid, alpha-methyl-4-(2-thiazolylamino)-. Following Lipinski's Rule of Five, Benzeneacetic acid, alpha-methyl-4-(2-thiazolylamino)- 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 Benzeneacetic acid, alpha-methyl-4-(2-thiazolylamino)-?
The CAS number of Benzeneacetic acid, alpha-methyl-4-(2-thiazolylamino)- is 57648-11-0.
What is the molecular formula of Benzeneacetic acid, alpha-methyl-4-(2-thiazolylamino)-?
The molecular formula of Benzeneacetic acid, alpha-methyl-4-(2-thiazolylamino)- is C12H12N2O2S.
What is the molecular weight of Benzeneacetic acid, alpha-methyl-4-(2-thiazolylamino)-?
The molecular weight of Benzeneacetic acid, alpha-methyl-4-(2-thiazolylamino)- is 248.06 g/mol.
Where can I buy Benzeneacetic acid, alpha-methyl-4-(2-thiazolylamino)-?
You can request a quote for Benzeneacetic acid, alpha-methyl-4-(2-thiazolylamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, alpha-methyl-4-(2-thiazolylamino)-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, alpha-methyl-4-(2-thiazolylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.