2,1,3-Benzothiadiazole-5-propanoic acid, alpha-amino-
TL;DR: 2,1,3-Benzothiadiazole-5-propanoic acid, alpha-amino- (CAS 20032-76-2) is a chemical compound with molecular formula C9H9N3O2S and molecular weight 223.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-(2,1,3-benzothiadiazol-5-yl)propanoic acid
Also Known As: BAS 00413416, 2,1,3-Benzothiadiazole-5-propanoic acid, alpha-amino-, 3-(2,1,3-benzothiadiazol-5-yl)alanine, 2-amino-3-(2,1,3-benzothiadiazol-5-yl)propanoic acid, BB 0256797
| Molecular Formula | C9H9N3O2S |
|---|---|
| Molecular Weight | 223.04 g/mol |
| LogP | 0.6457 |
| Topological Polar Surface Area | 89.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.04155 |
| Heavy Atoms | 15 |
| Complexity | 496.81805 |
Chemical Identifiers
| CAS Number | 20032-76-2 |
|---|---|
| SMILES | C1=CC2=NSN=C2C=C1CC(C(=O)O)N |
Product Overview
2,1,3-Benzothiadiazole-5-propanoic acid, alpha-amino- (CAS 20032-76-2), with molecular formula C9H9N3O2S and molecular weight 223.04 g/mol. IUPAC: 2-amino-3-(2,1,3-benzothiadiazol-5-yl)propanoic acid.
Chemical Property Profile of 2,1,3-Benzothiadiazole-5-propanoic acid, alpha-amino-
Property Insights of 2,1,3-Benzothiadiazole-5-propanoic acid, alpha-amino-
The XLogP value of 0.6457 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,1,3-Benzothiadiazole-5-propanoic acid, alpha-amino-. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,1,3-Benzothiadiazole-5-propanoic acid, alpha-amino-. Following Lipinski's Rule of Five, 2,1,3-Benzothiadiazole-5-propanoic acid, alpha-amino- 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 2,1,3-Benzothiadiazole-5-propanoic acid, alpha-amino-?
The CAS number of 2,1,3-Benzothiadiazole-5-propanoic acid, alpha-amino- is 20032-76-2.
What is the molecular formula of 2,1,3-Benzothiadiazole-5-propanoic acid, alpha-amino-?
The molecular formula of 2,1,3-Benzothiadiazole-5-propanoic acid, alpha-amino- is C9H9N3O2S.
What is the molecular weight of 2,1,3-Benzothiadiazole-5-propanoic acid, alpha-amino-?
The molecular weight of 2,1,3-Benzothiadiazole-5-propanoic acid, alpha-amino- is 223.04 g/mol.
Where can I buy 2,1,3-Benzothiadiazole-5-propanoic acid, alpha-amino-?
You can request a quote for 2,1,3-Benzothiadiazole-5-propanoic acid, alpha-amino- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,1,3-Benzothiadiazole-5-propanoic acid, alpha-amino-?
Yes, KEHONG BIO provides custom synthesis services for 2,1,3-Benzothiadiazole-5-propanoic acid, alpha-amino- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.