2-(6-Amino-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
TL;DR: 2-(6-Amino-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (CAS 5571-98-2) is a chemical compound with molecular formula C11H9N3O2S2 and molecular weight 279.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-amino-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
Also Known As: 6-Amino-6-deoxyluciferin, 6-Amino-D-luciferin, 6-amino D-Luciferin, 6-Amino-DL-luciferin, 2-(6-amino-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
| Molecular Formula | C11H9N3O2S2 |
|---|---|
| Molecular Weight | 279.01 g/mol |
| LogP | 1.8251 |
| Topological Polar Surface Area | 88.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.0136 |
| Heavy Atoms | 18 |
| Complexity | 665.3521 |
Chemical Identifiers
| CAS Number | 5571-98-2 |
|---|---|
| SMILES | C1C(N=C(S1)C2=NC3=C(S2)C=C(C=C3)N)C(=O)O |
Product Overview
2-(6-Amino-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (CAS 5571-98-2), with molecular formula C11H9N3O2S2 and molecular weight 279.01 g/mol. IUPAC: 2-(6-amino-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid.
Chemical Property Profile of 2-(6-Amino-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
Property Insights of 2-(6-Amino-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
The XLogP value of 1.8251 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(6-Amino-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid. The TPSA of 88.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(6-Amino-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid. Following Lipinski's Rule of Five, 2-(6-Amino-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid has 2 hydrogen bond donor(s) and 6 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-(6-Amino-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The CAS number of 2-(6-Amino-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid is 5571-98-2.
What is the molecular formula of 2-(6-Amino-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The molecular formula of 2-(6-Amino-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid is C11H9N3O2S2.
What is the molecular weight of 2-(6-Amino-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The molecular weight of 2-(6-Amino-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid is 279.01 g/mol.
Where can I buy 2-(6-Amino-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
You can request a quote for 2-(6-Amino-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(6-Amino-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(6-Amino-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.