2,2-Dimethyl-2,3,4,5-tetrahydro-1,5-benzothiazepine
TL;DR: 2,2-Dimethyl-2,3,4,5-tetrahydro-1,5-benzothiazepine (CAS 40359-00-0) is a chemical compound with molecular formula C11H15NS and molecular weight 193.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-4,5-dihydro-3H-1,5-benzothiazepine
Also Known As: CC1(C)CCNc2ccccc2S1, 2,2-Dimethyl-2,3,4,5-tetrahydro-1,5-benzothiazepine, 2,2-dimethyl-4,5-dihydro-3H-1,5-benzothiazepine, 2,2-dimethyl-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepine, 1,5-BENZOTHIAZEPINE, 2,3,4,5-TETRAHYDRO-2,2-DIMETHYL-
| Molecular Formula | C11H15NS |
|---|---|
| Molecular Weight | 193.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 193.09251 |
| Heavy Atoms | 13 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 40359-00-0 |
|---|---|
| SMILES | CC1(CCNC2=CC=CC=C2S1)C |
| InChIKey | VAKMHNZNNZZXLN-UHFFFAOYSA-N |
Product Overview
2,2-Dimethyl-2,3,4,5-tetrahydro-1,5-benzothiazepine (CAS 40359-00-0), with molecular formula C11H15NS and molecular weight 193.09 g/mol. IUPAC: 2,2-dimethyl-4,5-dihydro-3H-1,5-benzothiazepine.
Chemical Property Profile of 2,2-Dimethyl-2,3,4,5-tetrahydro-1,5-benzothiazepine
Property Insights of 2,2-Dimethyl-2,3,4,5-tetrahydro-1,5-benzothiazepine
The XLogP value of 3.2 indicates that 2,2-Dimethyl-2,3,4,5-tetrahydro-1,5-benzothiazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 2,2-Dimethyl-2,3,4,5-tetrahydro-1,5-benzothiazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyl-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 2,2-Dimethyl-2,3,4,5-tetrahydro-1,5-benzothiazepine?
The CAS number of 2,2-Dimethyl-2,3,4,5-tetrahydro-1,5-benzothiazepine is 40359-00-0.
What is the molecular formula of 2,2-Dimethyl-2,3,4,5-tetrahydro-1,5-benzothiazepine?
The molecular formula of 2,2-Dimethyl-2,3,4,5-tetrahydro-1,5-benzothiazepine is C11H15NS.
What is the molecular weight of 2,2-Dimethyl-2,3,4,5-tetrahydro-1,5-benzothiazepine?
The molecular weight of 2,2-Dimethyl-2,3,4,5-tetrahydro-1,5-benzothiazepine is 193.09 g/mol.
Where can I buy 2,2-Dimethyl-2,3,4,5-tetrahydro-1,5-benzothiazepine?
You can request a quote for 2,2-Dimethyl-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 2,2-Dimethyl-2,3,4,5-tetrahydro-1,5-benzothiazepine?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-2,3,4,5-tetrahydro-1,5-benzothiazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.