3-amino-3-(2-oxo-3H-1,3-benzothiazol-6-yl)propanoic acid
TL;DR: 3-amino-3-(2-oxo-3H-1,3-benzothiazol-6-yl)propanoic acid (CAS 477250-49-0) is a chemical compound with molecular formula C10H10N2O3S and molecular weight 238.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-3-(2-oxo-3H-1,3-benzothiazol-6-yl)propanoic acid
Also Known As: 6-Benzothiazolepropanoic acid, beta-amino-2,3-dihydro-2-oxo-, 3-amino-3-(2-oxo-3H-benzothiazol-6-yl)propanoic Acid
| Molecular Formula | C10H10N2O3S |
|---|---|
| Molecular Weight | 238.04 g/mol |
| LogP | 1.0641 |
| Topological Polar Surface Area | 96.18 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.04121 |
| Heavy Atoms | 16 |
| Complexity | 587.00684 |
Chemical Identifiers
| CAS Number | 477250-49-0 |
|---|---|
| SMILES | C1=CC2=C(C=C1C(CC(=O)O)N)SC(=O)N2 |
Product Overview
3-amino-3-(2-oxo-3H-1,3-benzothiazol-6-yl)propanoic acid (CAS 477250-49-0), with molecular formula C10H10N2O3S and molecular weight 238.04 g/mol. IUPAC: 3-amino-3-(2-oxo-3H-1,3-benzothiazol-6-yl)propanoic acid.
Chemical Property Profile of 3-amino-3-(2-oxo-3H-1,3-benzothiazol-6-yl)propanoic acid
Property Insights of 3-amino-3-(2-oxo-3H-1,3-benzothiazol-6-yl)propanoic acid
The XLogP value of 1.0641 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-amino-3-(2-oxo-3H-1,3-benzothiazol-6-yl)propanoic acid. The TPSA of 96.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-amino-3-(2-oxo-3H-1,3-benzothiazol-6-yl)propanoic acid. Following Lipinski's Rule of Five, 3-amino-3-(2-oxo-3H-1,3-benzothiazol-6-yl)propanoic 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 3-amino-3-(2-oxo-3H-1,3-benzothiazol-6-yl)propanoic acid?
The CAS number of 3-amino-3-(2-oxo-3H-1,3-benzothiazol-6-yl)propanoic acid is 477250-49-0.
What is the molecular formula of 3-amino-3-(2-oxo-3H-1,3-benzothiazol-6-yl)propanoic acid?
The molecular formula of 3-amino-3-(2-oxo-3H-1,3-benzothiazol-6-yl)propanoic acid is C10H10N2O3S.
What is the molecular weight of 3-amino-3-(2-oxo-3H-1,3-benzothiazol-6-yl)propanoic acid?
The molecular weight of 3-amino-3-(2-oxo-3H-1,3-benzothiazol-6-yl)propanoic acid is 238.04 g/mol.
Where can I buy 3-amino-3-(2-oxo-3H-1,3-benzothiazol-6-yl)propanoic acid?
You can request a quote for 3-amino-3-(2-oxo-3H-1,3-benzothiazol-6-yl)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-amino-3-(2-oxo-3H-1,3-benzothiazol-6-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-amino-3-(2-oxo-3H-1,3-benzothiazol-6-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.