2-((1,3-Benzothiazol-2-yl)amino)acetic acid
TL;DR: 2-((1,3-Benzothiazol-2-yl)amino)acetic acid (CAS 91192-36-8) is a chemical compound with molecular formula C9H8N2O2S and molecular weight 208.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-ylamino)acetic acid
Also Known As: N-1,3-benzothiazol-2-ylglycine, 2-(1,3-benzothiazol-2-ylamino)acetic acid, N-2-Benzothiazolylglycine, CBKinase1_000198, CBKinase1_012598
| Molecular Formula | C9H8N2O2S |
|---|---|
| Molecular Weight | 208.03 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 90.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.03065 |
| Heavy Atoms | 14 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 91192-36-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)NCC(=O)O |
| InChIKey | NQWYPNHFJRHOKO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-((1,3-Benzothiazol-2-yl)amino)acetic acid (CAS 91192-36-8), with molecular formula C9H8N2O2S and molecular weight 208.03 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylamino)acetic acid.
Chemical Property Profile of 2-((1,3-Benzothiazol-2-yl)amino)acetic acid
Property Insights of 2-((1,3-Benzothiazol-2-yl)amino)acetic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((1,3-Benzothiazol-2-yl)amino)acetic acid. The TPSA of 90.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((1,3-Benzothiazol-2-yl)amino)acetic acid. Following Lipinski's Rule of Five, 2-((1,3-Benzothiazol-2-yl)amino)acetic acid 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-Benzothiazol-2-yl)amino)acetic acid?
The CAS number of 2-((1,3-Benzothiazol-2-yl)amino)acetic acid is 91192-36-8.
What is the molecular formula of 2-((1,3-Benzothiazol-2-yl)amino)acetic acid?
The molecular formula of 2-((1,3-Benzothiazol-2-yl)amino)acetic acid is C9H8N2O2S.
What is the molecular weight of 2-((1,3-Benzothiazol-2-yl)amino)acetic acid?
The molecular weight of 2-((1,3-Benzothiazol-2-yl)amino)acetic acid is 208.03 g/mol.
Where can I buy 2-((1,3-Benzothiazol-2-yl)amino)acetic acid?
You can request a quote for 2-((1,3-Benzothiazol-2-yl)amino)acetic acid 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-Benzothiazol-2-yl)amino)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((1,3-Benzothiazol-2-yl)amino)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.