2-Methyl-2,3,4,5-tetrahydro-1,5-benzothiazepine
TL;DR: 2-Methyl-2,3,4,5-tetrahydro-1,5-benzothiazepine (CAS 19197-44-5) is a chemical compound with molecular formula C10H13NS and molecular weight 179.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepine
Also Known As: 2-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepine, 2-Methyl-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepine, 1,5-Benzothiazepine, 2,3,4,5-tetrahydro-2-methyl-, 1,5-Benzothiazepine,2,3,4,5-tetrahydro-2-methyl-, 837-251-8
| Molecular Formula | C10H13NS |
|---|---|
| Molecular Weight | 179.08 g/mol |
| LogP | 2.9828 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 179.07687 |
| Heavy Atoms | 12 |
| Complexity | 272.29602 |
Chemical Identifiers
| CAS Number | 19197-44-5 |
|---|---|
| SMILES | CC1CCNC2=CC=CC=C2S1 |
Product Overview
2-Methyl-2,3,4,5-tetrahydro-1,5-benzothiazepine (CAS 19197-44-5), with molecular formula C10H13NS and molecular weight 179.08 g/mol. IUPAC: 2-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepine.
Chemical Property Profile of 2-Methyl-2,3,4,5-tetrahydro-1,5-benzothiazepine
Property Insights of 2-Methyl-2,3,4,5-tetrahydro-1,5-benzothiazepine
The XLogP value of 2.9828 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-2,3,4,5-tetrahydro-1,5-benzothiazepine. With a topological polar surface area (TPSA) of 12.03 Ų, 2-Methyl-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-Methyl-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-Methyl-2,3,4,5-tetrahydro-1,5-benzothiazepine?
The CAS number of 2-Methyl-2,3,4,5-tetrahydro-1,5-benzothiazepine is 19197-44-5.
What is the molecular formula of 2-Methyl-2,3,4,5-tetrahydro-1,5-benzothiazepine?
The molecular formula of 2-Methyl-2,3,4,5-tetrahydro-1,5-benzothiazepine is C10H13NS.
What is the molecular weight of 2-Methyl-2,3,4,5-tetrahydro-1,5-benzothiazepine?
The molecular weight of 2-Methyl-2,3,4,5-tetrahydro-1,5-benzothiazepine is 179.08 g/mol.
Where can I buy 2-Methyl-2,3,4,5-tetrahydro-1,5-benzothiazepine?
You can request a quote for 2-Methyl-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-Methyl-2,3,4,5-tetrahydro-1,5-benzothiazepine?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-2,3,4,5-tetrahydro-1,5-benzothiazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.