3-Amino-2,5,6,7-tetrahydro-1,4-thiazepine-5-carboxylic acid
TL;DR: 3-Amino-2,5,6,7-tetrahydro-1,4-thiazepine-5-carboxylic acid (CAS 6320-21-4) is a chemical compound with molecular formula C6H10N2O2S and molecular weight 174.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-2,5,6,7-tetrahydro-1,4-thiazepine-5-carboxylic acid
Also Known As: 2,3-Dichlorthianaphthol-1,2-dioxid, 3-amino-2,5,6,7-tetrahydro-1,4-thiazepine-5-carboxylic acid
| Molecular Formula | C6H10N2O2S |
|---|---|
| Molecular Weight | 174.05 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.0463 |
| Heavy Atoms | 11 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 6320-21-4 |
|---|---|
| SMILES | C1CSCC(=NC1C(=O)O)N |
| InChIKey | RHIQVWYDRYSBGN-UHFFFAOYSA-N |
Product Overview
3-Amino-2,5,6,7-tetrahydro-1,4-thiazepine-5-carboxylic acid (CAS 6320-21-4), with molecular formula C6H10N2O2S and molecular weight 174.05 g/mol. IUPAC: 3-amino-2,5,6,7-tetrahydro-1,4-thiazepine-5-carboxylic acid.
Chemical Property Profile of 3-Amino-2,5,6,7-tetrahydro-1,4-thiazepine-5-carboxylic acid
Property Insights of 3-Amino-2,5,6,7-tetrahydro-1,4-thiazepine-5-carboxylic acid
The XLogP value of -0.3 indicates that 3-Amino-2,5,6,7-tetrahydro-1,4-thiazepine-5-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-2,5,6,7-tetrahydro-1,4-thiazepine-5-carboxylic acid. Following Lipinski's Rule of Five, 3-Amino-2,5,6,7-tetrahydro-1,4-thiazepine-5-carboxylic acid has 2 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-2,5,6,7-tetrahydro-1,4-thiazepine-5-carboxylic acid?
The CAS number of 3-Amino-2,5,6,7-tetrahydro-1,4-thiazepine-5-carboxylic acid is 6320-21-4.
What is the molecular formula of 3-Amino-2,5,6,7-tetrahydro-1,4-thiazepine-5-carboxylic acid?
The molecular formula of 3-Amino-2,5,6,7-tetrahydro-1,4-thiazepine-5-carboxylic acid is C6H10N2O2S.
What is the molecular weight of 3-Amino-2,5,6,7-tetrahydro-1,4-thiazepine-5-carboxylic acid?
The molecular weight of 3-Amino-2,5,6,7-tetrahydro-1,4-thiazepine-5-carboxylic acid is 174.05 g/mol.
Where can I buy 3-Amino-2,5,6,7-tetrahydro-1,4-thiazepine-5-carboxylic acid?
You can request a quote for 3-Amino-2,5,6,7-tetrahydro-1,4-thiazepine-5-carboxylic 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-2,5,6,7-tetrahydro-1,4-thiazepine-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-2,5,6,7-tetrahydro-1,4-thiazepine-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.