5-Isothiazoleacetic acid, alpha-amino-2,3-dihydro-3-oxo-
TL;DR: 5-Isothiazoleacetic acid, alpha-amino-2,3-dihydro-3-oxo- (CAS 415724-75-3) is a chemical compound with molecular formula C5H6N2O3S and molecular weight 174.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-2-(3-oxo-1,2-thiazol-5-yl)acetic acid
Also Known As: thioibotenic acid, 2-amino-2-(3-oxo-1,2-thiazol-5-yl)acetic Acid, J1.761.521A, 5-Isothiazoleacetic acid, alpha-amino-2,3-dihydro-3-oxo-, alpha-Amino-3-hydroxyisothiazole-5-acetic acid
| Molecular Formula | C5H6N2O3S |
|---|---|
| Molecular Weight | 174.01 g/mol |
| LogP | -0.4792 |
| Topological Polar Surface Area | 96.18 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.00992 |
| Heavy Atoms | 11 |
| Complexity | 315.52747 |
Chemical Identifiers
| CAS Number | 415724-75-3 |
|---|---|
| SMILES | C1=C(SNC1=O)C(C(=O)O)N |
Product Overview
5-Isothiazoleacetic acid, alpha-amino-2,3-dihydro-3-oxo- (CAS 415724-75-3), with molecular formula C5H6N2O3S and molecular weight 174.01 g/mol. IUPAC: 2-amino-2-(3-oxo-1,2-thiazol-5-yl)acetic acid.
Chemical Property Profile of 5-Isothiazoleacetic acid, alpha-amino-2,3-dihydro-3-oxo-
Property Insights of 5-Isothiazoleacetic acid, alpha-amino-2,3-dihydro-3-oxo-
The XLogP value of -0.4792 indicates that 5-Isothiazoleacetic acid, alpha-amino-2,3-dihydro-3-oxo- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 96.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Isothiazoleacetic acid, alpha-amino-2,3-dihydro-3-oxo-. Following Lipinski's Rule of Five, 5-Isothiazoleacetic acid, alpha-amino-2,3-dihydro-3-oxo- 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 5-Isothiazoleacetic acid, alpha-amino-2,3-dihydro-3-oxo-?
The CAS number of 5-Isothiazoleacetic acid, alpha-amino-2,3-dihydro-3-oxo- is 415724-75-3.
What is the molecular formula of 5-Isothiazoleacetic acid, alpha-amino-2,3-dihydro-3-oxo-?
The molecular formula of 5-Isothiazoleacetic acid, alpha-amino-2,3-dihydro-3-oxo- is C5H6N2O3S.
What is the molecular weight of 5-Isothiazoleacetic acid, alpha-amino-2,3-dihydro-3-oxo-?
The molecular weight of 5-Isothiazoleacetic acid, alpha-amino-2,3-dihydro-3-oxo- is 174.01 g/mol.
Where can I buy 5-Isothiazoleacetic acid, alpha-amino-2,3-dihydro-3-oxo-?
You can request a quote for 5-Isothiazoleacetic acid, alpha-amino-2,3-dihydro-3-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Isothiazoleacetic acid, alpha-amino-2,3-dihydro-3-oxo-?
Yes, KEHONG BIO provides custom synthesis services for 5-Isothiazoleacetic acid, alpha-amino-2,3-dihydro-3-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.