2,3,4,5-Tetrahydro-1,5-benzothiazepine
TL;DR: 2,3,4,5-Tetrahydro-1,5-benzothiazepine (CAS 40358-33-6) is a chemical compound with molecular formula C9H11NS and molecular weight 165.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,5-tetrahydro-1,5-benzothiazepine
Also Known As: 2,3,4,5-tetrahydro-1,5-benzothiazepine, 2,3,4,5-tetrahydrobenzo[b][1,4]thiazepine, 1,5-benzothiazepine, 2,3,4,5-tetrahydro-, 2,3,4,5-tetrahydro-benzo[b][1,4]thiazepine, 1,5-Benzothiazepine,2,3,4,5-tetrahydro-
| Molecular Formula | C9H11NS |
|---|---|
| Molecular Weight | 165.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 165.06122 |
| Heavy Atoms | 11 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 40358-33-6 |
|---|---|
| SMILES | C1CNC2=CC=CC=C2SC1 |
| InChIKey | XSLBWZNMWUEVMS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,4,5-Tetrahydro-1,5-benzothiazepine (CAS 40358-33-6), with molecular formula C9H11NS and molecular weight 165.06 g/mol. IUPAC: 2,3,4,5-tetrahydro-1,5-benzothiazepine.
Chemical Property Profile of 2,3,4,5-Tetrahydro-1,5-benzothiazepine
Property Insights of 2,3,4,5-Tetrahydro-1,5-benzothiazepine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4,5-Tetrahydro-1,5-benzothiazepine. With a topological polar surface area (TPSA) of 37.3 Ų, 2,3,4,5-Tetrahydro-1,5-benzothiazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4,5-Tetrahydro-1,5-benzothiazepine has 1 hydrogen bond donor(s) and 2 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 2,3,4,5-Tetrahydro-1,5-benzothiazepine?
The CAS number of 2,3,4,5-Tetrahydro-1,5-benzothiazepine is 40358-33-6.
What is the molecular formula of 2,3,4,5-Tetrahydro-1,5-benzothiazepine?
The molecular formula of 2,3,4,5-Tetrahydro-1,5-benzothiazepine is C9H11NS.
What is the molecular weight of 2,3,4,5-Tetrahydro-1,5-benzothiazepine?
The molecular weight of 2,3,4,5-Tetrahydro-1,5-benzothiazepine is 165.06 g/mol.
Where can I buy 2,3,4,5-Tetrahydro-1,5-benzothiazepine?
You can request a quote for 2,3,4,5-Tetrahydro-1,5-benzothiazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4,5-Tetrahydro-1,5-benzothiazepine?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,5-Tetrahydro-1,5-benzothiazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.