![3-[(2-Carboxyethyl)(6-nitrobenzothiazol-2-yl)amino]propanoic acid structure](/static/products/200/200402-66-0.png)
3-[(2-Carboxyethyl)(6-nitrobenzothiazol-2-yl)amino]propanoic acid
TL;DR: 3-[(2-Carboxyethyl)(6-nitrobenzothiazol-2-yl)amino]propanoic acid (CAS 200402-66-0) is a chemical compound with molecular formula C13H13N3O6S and molecular weight 339.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-carboxyethyl-(6-nitro-1,3-benzothiazol-2-yl)amino]propanoic acid
Also Known As: BAS 00398607, 3,3'-((6-nitrobenzo[d]thiazol-2-yl)azanediyl)dipropanoic acid, 3,3'-[(6-nitro-1,3-benzothiazol-2-yl)imino]dipropanoic acid, 3-[(2-carboxyethyl)(6-nitrobenzothiazol-2-yl)amino]propanoic acid, 3-[(2-Carboxy-ethyl)-(6-nitro-benzothiazol-2-yl)-amino]-propionic acid
| Molecular Formula | C13H13N3O6S |
|---|---|
| Molecular Weight | 339.05 g/mol |
| LogP | 1.9603 |
| Topological Polar Surface Area | 133.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 339.05252 |
| Heavy Atoms | 23 |
| Complexity | 741.24786 |
Chemical Identifiers
| CAS Number | 200402-66-0 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)N(CCC(=O)O)CCC(=O)O |
Product Overview
3-[(2-Carboxyethyl)(6-nitrobenzothiazol-2-yl)amino]propanoic acid (CAS 200402-66-0), with molecular formula C13H13N3O6S and molecular weight 339.05 g/mol. IUPAC: 3-[2-carboxyethyl-(6-nitro-1,3-benzothiazol-2-yl)amino]propanoic acid.
Chemical Property Profile of 3-[(2-Carboxyethyl)(6-nitrobenzothiazol-2-yl)amino]propanoic acid
Property Insights of 3-[(2-Carboxyethyl)(6-nitrobenzothiazol-2-yl)amino]propanoic acid
The XLogP value of 1.9603 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(2-Carboxyethyl)(6-nitrobenzothiazol-2-yl)amino]propanoic acid. The TPSA of 133.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(2-Carboxyethyl)(6-nitrobenzothiazol-2-yl)amino]propanoic acid. Following Lipinski's Rule of Five, 3-[(2-Carboxyethyl)(6-nitrobenzothiazol-2-yl)amino]propanoic acid has 2 hydrogen bond donor(s) and 7 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 3-[(2-Carboxyethyl)(6-nitrobenzothiazol-2-yl)amino]propanoic acid?
The CAS number of 3-[(2-Carboxyethyl)(6-nitrobenzothiazol-2-yl)amino]propanoic acid is 200402-66-0.
What is the molecular formula of 3-[(2-Carboxyethyl)(6-nitrobenzothiazol-2-yl)amino]propanoic acid?
The molecular formula of 3-[(2-Carboxyethyl)(6-nitrobenzothiazol-2-yl)amino]propanoic acid is C13H13N3O6S.
What is the molecular weight of 3-[(2-Carboxyethyl)(6-nitrobenzothiazol-2-yl)amino]propanoic acid?
The molecular weight of 3-[(2-Carboxyethyl)(6-nitrobenzothiazol-2-yl)amino]propanoic acid is 339.05 g/mol.
Where can I buy 3-[(2-Carboxyethyl)(6-nitrobenzothiazol-2-yl)amino]propanoic acid?
You can request a quote for 3-[(2-Carboxyethyl)(6-nitrobenzothiazol-2-yl)amino]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(2-Carboxyethyl)(6-nitrobenzothiazol-2-yl)amino]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-Carboxyethyl)(6-nitrobenzothiazol-2-yl)amino]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.