Perhydro-1,4-thiazepine-3,5-dicarboxylic acid
TL;DR: Perhydro-1,4-thiazepine-3,5-dicarboxylic acid (CAS 77983-84-7) is a chemical compound with molecular formula C7H11NO4S and molecular weight 205.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-thiazepane-3,5-dicarboxylic acid
Also Known As: Cyclothionine, Cyclic cystathionine, 1,4-thiazepane-3,5-dicarboxylic acid, Perhydro-1,4-thiazepine-3,5-dicarboxylic acid, 1,4-Hexahydrothiazepine-3,5-dicarboxylic acid
| Molecular Formula | C7H11NO4S |
|---|---|
| Molecular Weight | 205.04 g/mol |
| LogP | -2.4 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.04088 |
| Heavy Atoms | 13 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 77983-84-7 |
|---|---|
| SMILES | C1CSCC(NC1C(=O)O)C(=O)O |
| InChIKey | IGBAFIMATACJON-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Perhydro-1,4-thiazepine-3,5-dicarboxylic acid (CAS 77983-84-7), with molecular formula C7H11NO4S and molecular weight 205.04 g/mol. IUPAC: 1,4-thiazepane-3,5-dicarboxylic acid.
Chemical Property Profile of Perhydro-1,4-thiazepine-3,5-dicarboxylic acid
Property Insights of Perhydro-1,4-thiazepine-3,5-dicarboxylic acid
The XLogP value of -2.4 indicates that Perhydro-1,4-thiazepine-3,5-dicarboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Perhydro-1,4-thiazepine-3,5-dicarboxylic acid. Following Lipinski's Rule of Five, Perhydro-1,4-thiazepine-3,5-dicarboxylic acid has 3 hydrogen bond donor(s) and 6 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 Perhydro-1,4-thiazepine-3,5-dicarboxylic acid?
The CAS number of Perhydro-1,4-thiazepine-3,5-dicarboxylic acid is 77983-84-7.
What is the molecular formula of Perhydro-1,4-thiazepine-3,5-dicarboxylic acid?
The molecular formula of Perhydro-1,4-thiazepine-3,5-dicarboxylic acid is C7H11NO4S.
What is the molecular weight of Perhydro-1,4-thiazepine-3,5-dicarboxylic acid?
The molecular weight of Perhydro-1,4-thiazepine-3,5-dicarboxylic acid is 205.04 g/mol.
Where can I buy Perhydro-1,4-thiazepine-3,5-dicarboxylic acid?
You can request a quote for Perhydro-1,4-thiazepine-3,5-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Perhydro-1,4-thiazepine-3,5-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for Perhydro-1,4-thiazepine-3,5-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.