3-(2-Benzothiazolyl)alanine
TL;DR: 3-(2-Benzothiazolyl)alanine (CAS 86014-92-8) is a chemical compound with molecular formula C10H10N2O2S and molecular weight 222.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-amino-3-(1,3-benzothiazol-2-yl)propanoic acid
Also Known As: 3-Btal, 3-(2-Benzothiazolyl)alanine, 3-(1,3-benzothiazol-2-yl)-d-alanine, (R)-alpha-Amino-2-benzothiazolepropanoic acid, 3-(1,3-Benzothiazol-2-yl)alanine
| Molecular Formula | C10H10N2O2S |
|---|---|
| Molecular Weight | 222.05 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.0463 |
| Heavy Atoms | 15 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 86014-92-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C[C@H](C(=O)O)N |
| InChIKey | DNDVHMGBCGSRIY-ZCFIWIBFSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-Benzothiazolyl)alanine (CAS 86014-92-8), with molecular formula C10H10N2O2S and molecular weight 222.05 g/mol. IUPAC: (2R)-2-amino-3-(1,3-benzothiazol-2-yl)propanoic acid.
Chemical Property Profile of 3-(2-Benzothiazolyl)alanine
Property Insights of 3-(2-Benzothiazolyl)alanine
The XLogP value of -0.9 indicates that 3-(2-Benzothiazolyl)alanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Benzothiazolyl)alanine. Following Lipinski's Rule of Five, 3-(2-Benzothiazolyl)alanine 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 3-(2-Benzothiazolyl)alanine?
The CAS number of 3-(2-Benzothiazolyl)alanine is 86014-92-8.
What is the molecular formula of 3-(2-Benzothiazolyl)alanine?
The molecular formula of 3-(2-Benzothiazolyl)alanine is C10H10N2O2S.
What is the molecular weight of 3-(2-Benzothiazolyl)alanine?
The molecular weight of 3-(2-Benzothiazolyl)alanine is 222.05 g/mol.
Where can I buy 3-(2-Benzothiazolyl)alanine?
You can request a quote for 3-(2-Benzothiazolyl)alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Benzothiazolyl)alanine?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Benzothiazolyl)alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.