2,2,4-Trimethyl-2,3-dihydro-1,5-benzothiazepine
TL;DR: 2,2,4-Trimethyl-2,3-dihydro-1,5-benzothiazepine (CAS 40358-29-0) is a chemical compound with molecular formula C12H15NS and molecular weight 205.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,4-trimethyl-3H-1,5-benzothiazepine
Also Known As: 2,2,4-trimethyl-3H-1,5-benzothiazepine, 2,2,4-Trimethyl-2,3-dihydro-1,5-benzothiazepine, 2,2,4-trimethyl-3H-benzo[b]1,4-thiazepine, 2,3-Dihydro-2,2,4-trimethyl-1,5-benzothiazepin, 2,3-Dihydro-2,2,4-trimethyl-1,5-benzothiazepine
| Molecular Formula | C12H15NS |
|---|---|
| Molecular Weight | 205.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 37.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 205.09251 |
| Heavy Atoms | 14 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 40358-29-0 |
|---|---|
| SMILES | CC1=NC2=CC=CC=C2SC(C1)(C)C |
| InChIKey | JMTVJFGDWULNMH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,4-Trimethyl-2,3-dihydro-1,5-benzothiazepine (CAS 40358-29-0), with molecular formula C12H15NS and molecular weight 205.09 g/mol. IUPAC: 2,2,4-trimethyl-3H-1,5-benzothiazepine.
Chemical Property Profile of 2,2,4-Trimethyl-2,3-dihydro-1,5-benzothiazepine
Property Insights of 2,2,4-Trimethyl-2,3-dihydro-1,5-benzothiazepine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,4-Trimethyl-2,3-dihydro-1,5-benzothiazepine. With a topological polar surface area (TPSA) of 37.7 Ų, 2,2,4-Trimethyl-2,3-dihydro-1,5-benzothiazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,4-Trimethyl-2,3-dihydro-1,5-benzothiazepine has 0 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 2,2,4-Trimethyl-2,3-dihydro-1,5-benzothiazepine?
The CAS number of 2,2,4-Trimethyl-2,3-dihydro-1,5-benzothiazepine is 40358-29-0.
What is the molecular formula of 2,2,4-Trimethyl-2,3-dihydro-1,5-benzothiazepine?
The molecular formula of 2,2,4-Trimethyl-2,3-dihydro-1,5-benzothiazepine is C12H15NS.
What is the molecular weight of 2,2,4-Trimethyl-2,3-dihydro-1,5-benzothiazepine?
The molecular weight of 2,2,4-Trimethyl-2,3-dihydro-1,5-benzothiazepine is 205.09 g/mol.
Where can I buy 2,2,4-Trimethyl-2,3-dihydro-1,5-benzothiazepine?
You can request a quote for 2,2,4-Trimethyl-2,3-dihydro-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 2,2,4-Trimethyl-2,3-dihydro-1,5-benzothiazepine?
Yes, KEHONG BIO provides custom synthesis services for 2,2,4-Trimethyl-2,3-dihydro-1,5-benzothiazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.