(5R)-2,5,6,7-tetrahydro-1,4-thiazepine-3,5-dicarboxylic acid
TL;DR: (5R)-2,5,6,7-tetrahydro-1,4-thiazepine-3,5-dicarboxylic acid (CAS 87254-95-3) is a chemical compound with molecular formula C7H9NO4S and molecular weight 203.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5R)-2,5,6,7-tetrahydro-1,4-thiazepine-3,5-dicarboxylic acid
Also Known As: Cystathionine ketimine, (5R)-2,5,6,7-tetrahydro-1,4-thiazepine-3,5-dicarboxylic acid, -2,5,6,7-tetrahydro-1,4-thiazepine-3,5-dicarboxylicacid, 1,4-Thiazepine-3,5-dicarboxylic acid, 2,5,6,7-tetrahydro-, (R)-, 1,4-Thiazepine-3,5-dicarboxylicacid, 2,5,6,7-tetrahydro-, (5R)-
| Molecular Formula | C7H9NO4S |
|---|---|
| Molecular Weight | 203.03 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.02522 |
| Heavy Atoms | 13 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 87254-95-3 |
|---|---|
| SMILES | C1CSCC(=N[C@H]1C(=O)O)C(=O)O |
| InChIKey | XJUQJVUYGRTQGI-SCSAIBSYSA-N |
Product Overview
(5R)-2,5,6,7-tetrahydro-1,4-thiazepine-3,5-dicarboxylic acid (CAS 87254-95-3), with molecular formula C7H9NO4S and molecular weight 203.03 g/mol. IUPAC: (5R)-2,5,6,7-tetrahydro-1,4-thiazepine-3,5-dicarboxylic acid.
Chemical Property Profile of (5R)-2,5,6,7-tetrahydro-1,4-thiazepine-3,5-dicarboxylic acid
Property Insights of (5R)-2,5,6,7-tetrahydro-1,4-thiazepine-3,5-dicarboxylic acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5R)-2,5,6,7-tetrahydro-1,4-thiazepine-3,5-dicarboxylic acid. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5R)-2,5,6,7-tetrahydro-1,4-thiazepine-3,5-dicarboxylic acid. Following Lipinski's Rule of Five, (5R)-2,5,6,7-tetrahydro-1,4-thiazepine-3,5-dicarboxylic acid has 2 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 (5R)-2,5,6,7-tetrahydro-1,4-thiazepine-3,5-dicarboxylic acid?
The CAS number of (5R)-2,5,6,7-tetrahydro-1,4-thiazepine-3,5-dicarboxylic acid is 87254-95-3.
What is the molecular formula of (5R)-2,5,6,7-tetrahydro-1,4-thiazepine-3,5-dicarboxylic acid?
The molecular formula of (5R)-2,5,6,7-tetrahydro-1,4-thiazepine-3,5-dicarboxylic acid is C7H9NO4S.
What is the molecular weight of (5R)-2,5,6,7-tetrahydro-1,4-thiazepine-3,5-dicarboxylic acid?
The molecular weight of (5R)-2,5,6,7-tetrahydro-1,4-thiazepine-3,5-dicarboxylic acid is 203.03 g/mol.
Where can I buy (5R)-2,5,6,7-tetrahydro-1,4-thiazepine-3,5-dicarboxylic acid?
You can request a quote for (5R)-2,5,6,7-tetrahydro-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 (5R)-2,5,6,7-tetrahydro-1,4-thiazepine-3,5-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (5R)-2,5,6,7-tetrahydro-1,4-thiazepine-3,5-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.