1,5-Benzothiazepine, 2,3,4,5-tetrahydro-, hydrochloride
TL;DR: 1,5-Benzothiazepine, 2,3,4,5-tetrahydro-, hydrochloride (CAS 58121-91-8) is a chemical compound with molecular formula C9H12ClNS and molecular weight 201.04 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;hydrochloride
Also Known As: 2,3,4,5-Tetrahydro-1,5-benzothiazepine hydrochloride, 1,5-Benzothiazepine, 2,3,4,5-tetrahydro-, hydrochloride, 2,3,4,5-tetrahydro-1,5-benzothiazepine;hydrochloride, 2,3,4,5-tetrahydro-1,5-benzothiazepine hydrochloride(1:1), 2,3,4,5-tetrahydro-1,5-benzothiazepine,hydrochloride
| Molecular Formula | C9H12ClNS |
|---|---|
| Molecular Weight | 201.04 g/mol |
| LogP | 3.02 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 201.0379 |
| Heavy Atoms | 12 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 58121-91-8 |
|---|---|
| SMILES | C1CNC2=CC=CC=C2SC1.Cl |
| InChIKey | KPYCPXPYGHGTDC-UHFFFAOYSA-N |
Product Overview
1,5-Benzothiazepine, 2,3,4,5-tetrahydro-, hydrochloride (CAS 58121-91-8), with molecular formula C9H12ClNS and molecular weight 201.04 g/mol. IUPAC: 2,3,4,5-tetrahydro-1,5-benzothiazepine;hydrochloride.
Chemical Property Profile of 1,5-Benzothiazepine, 2,3,4,5-tetrahydro-, hydrochloride
Property Insights of 1,5-Benzothiazepine, 2,3,4,5-tetrahydro-, hydrochloride
The XLogP value of 3.02 indicates that 1,5-Benzothiazepine, 2,3,4,5-tetrahydro-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 1,5-Benzothiazepine, 2,3,4,5-tetrahydro-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5-Benzothiazepine, 2,3,4,5-tetrahydro-, hydrochloride has 2 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 1,5-Benzothiazepine, 2,3,4,5-tetrahydro-, hydrochloride?
The CAS number of 1,5-Benzothiazepine, 2,3,4,5-tetrahydro-, hydrochloride is 58121-91-8.
What is the molecular formula of 1,5-Benzothiazepine, 2,3,4,5-tetrahydro-, hydrochloride?
The molecular formula of 1,5-Benzothiazepine, 2,3,4,5-tetrahydro-, hydrochloride is C9H12ClNS.
What is the molecular weight of 1,5-Benzothiazepine, 2,3,4,5-tetrahydro-, hydrochloride?
The molecular weight of 1,5-Benzothiazepine, 2,3,4,5-tetrahydro-, hydrochloride is 201.04 g/mol.
Where can I buy 1,5-Benzothiazepine, 2,3,4,5-tetrahydro-, hydrochloride?
You can request a quote for 1,5-Benzothiazepine, 2,3,4,5-tetrahydro-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Benzothiazepine, 2,3,4,5-tetrahydro-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Benzothiazepine, 2,3,4,5-tetrahydro-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.