N,N-Diethyl-4-methyl-5-(methylthio)-1,2-benzothiazepin-3-amine 1,1-dioxide
TL;DR: N,N-Diethyl-4-methyl-5-(methylthio)-1,2-benzothiazepin-3-amine 1,1-dioxide (CAS 61766-86-7) is a chemical compound with molecular formula C15H20N2O2S2 and molecular weight 324.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-4-methyl-5-methylsulfanyl-1,1-dioxo-1λ6,2-benzothiazepin-3-amine
Also Known As: N,N-Diethyl-4-methyl-5-(methylthio)-1,2-benzothiazepin-3-amine 1,1-dioxide, N,N-diethyl-4-methyl-5-methylsulfanyl-1,1-dioxo-1, N,N-diethyl-4-methyl-5-methylsulfanyl-1,1-dioxo-1lambda6,2-benzot, 1,2-Benzothiazepin-3-amine, N,N-diethyl-4-methyl-5-(methylthio)-, 1,1-dioxide, 3-(Diethylamino)-4-methyl-5-(methylsulfanyl)-1H-1lambda~6~,2-benzothiazepine-1,1-dione
| Molecular Formula | C15H20N2O2S2 |
|---|---|
| Molecular Weight | 324.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 83.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.09662 |
| Heavy Atoms | 21 |
| Complexity | 543.0 |
Chemical Identifiers
| CAS Number | 61766-86-7 |
|---|---|
| SMILES | CCN(CC)C1=NS(=O)(=O)C2=CC=CC=C2C(=C1C)SC |
| InChIKey | WWRKURCDUZTYQC-UHFFFAOYSA-N |
Product Overview
N,N-Diethyl-4-methyl-5-(methylthio)-1,2-benzothiazepin-3-amine 1,1-dioxide (CAS 61766-86-7), with molecular formula C15H20N2O2S2 and molecular weight 324.10 g/mol. IUPAC: N,N-diethyl-4-methyl-5-methylsulfanyl-1,1-dioxo-1λ6,2-benzothiazepin-3-amine.
Chemical Property Profile of N,N-Diethyl-4-methyl-5-(methylthio)-1,2-benzothiazepin-3-amine 1,1-dioxide
Property Insights of N,N-Diethyl-4-methyl-5-(methylthio)-1,2-benzothiazepin-3-amine 1,1-dioxide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Diethyl-4-methyl-5-(methylthio)-1,2-benzothiazepin-3-amine 1,1-dioxide. The TPSA of 83.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-Diethyl-4-methyl-5-(methylthio)-1,2-benzothiazepin-3-amine 1,1-dioxide. Following Lipinski's Rule of Five, N,N-Diethyl-4-methyl-5-(methylthio)-1,2-benzothiazepin-3-amine 1,1-dioxide has 0 hydrogen bond donor(s) and 4 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 N,N-Diethyl-4-methyl-5-(methylthio)-1,2-benzothiazepin-3-amine 1,1-dioxide?
The CAS number of N,N-Diethyl-4-methyl-5-(methylthio)-1,2-benzothiazepin-3-amine 1,1-dioxide is 61766-86-7.
What is the molecular formula of N,N-Diethyl-4-methyl-5-(methylthio)-1,2-benzothiazepin-3-amine 1,1-dioxide?
The molecular formula of N,N-Diethyl-4-methyl-5-(methylthio)-1,2-benzothiazepin-3-amine 1,1-dioxide is C15H20N2O2S2.
What is the molecular weight of N,N-Diethyl-4-methyl-5-(methylthio)-1,2-benzothiazepin-3-amine 1,1-dioxide?
The molecular weight of N,N-Diethyl-4-methyl-5-(methylthio)-1,2-benzothiazepin-3-amine 1,1-dioxide is 324.10 g/mol.
Where can I buy N,N-Diethyl-4-methyl-5-(methylthio)-1,2-benzothiazepin-3-amine 1,1-dioxide?
You can request a quote for N,N-Diethyl-4-methyl-5-(methylthio)-1,2-benzothiazepin-3-amine 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Diethyl-4-methyl-5-(methylthio)-1,2-benzothiazepin-3-amine 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for N,N-Diethyl-4-methyl-5-(methylthio)-1,2-benzothiazepin-3-amine 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.