5-ethoxy-N,N-diethyl-4-methyl-1,1-dioxo-1lambda6,2-benzothiazepin-3-amine
TL;DR: 5-ethoxy-N,N-diethyl-4-methyl-1,1-dioxo-1lambda6,2-benzothiazepin-3-amine (CAS 61766-85-6) is a chemical compound with molecular formula C16H22N2O3S and molecular weight 322.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethoxy-N,N-diethyl-4-methyl-1,1-dioxo-1λ6,2-benzothiazepin-3-amine
Also Known As: 5-ethoxy-N,N-diethyl-4-methyl-1,1-dioxo-1, 5-ethoxy-N,N-diethyl-4-methyl-1,1-dioxo-1lambda6,2-benzothiazepin, 5-ethoxy-N,N-diethyl-4-methyl-1,1-dioxo-1lambda6,2-benzothiazepin-3-amine, 3-(Diethylamino)-5-ethoxy-4-methyl-1H-1lambda~6~,2-benzothiazepine-1,1-dione
| Molecular Formula | C16H22N2O3S |
|---|---|
| Molecular Weight | 322.14 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.1351 |
| Heavy Atoms | 22 |
| Complexity | 556.0 |
Chemical Identifiers
| CAS Number | 61766-85-6 |
|---|---|
| SMILES | CCN(CC)C1=NS(=O)(=O)C2=CC=CC=C2C(=C1C)OCC |
| InChIKey | CFIRJJHCDKQNBV-UHFFFAOYSA-N |
Product Overview
5-ethoxy-N,N-diethyl-4-methyl-1,1-dioxo-1lambda6,2-benzothiazepin-3-amine (CAS 61766-85-6), with molecular formula C16H22N2O3S and molecular weight 322.14 g/mol. IUPAC: 5-ethoxy-N,N-diethyl-4-methyl-1,1-dioxo-1λ6,2-benzothiazepin-3-amine.
Chemical Property Profile of 5-ethoxy-N,N-diethyl-4-methyl-1,1-dioxo-1lambda6,2-benzothiazepin-3-amine
Property Insights of 5-ethoxy-N,N-diethyl-4-methyl-1,1-dioxo-1lambda6,2-benzothiazepin-3-amine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-ethoxy-N,N-diethyl-4-methyl-1,1-dioxo-1lambda6,2-benzothiazepin-3-amine. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-ethoxy-N,N-diethyl-4-methyl-1,1-dioxo-1lambda6,2-benzothiazepin-3-amine. Following Lipinski's Rule of Five, 5-ethoxy-N,N-diethyl-4-methyl-1,1-dioxo-1lambda6,2-benzothiazepin-3-amine 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 5-ethoxy-N,N-diethyl-4-methyl-1,1-dioxo-1lambda6,2-benzothiazepin-3-amine?
The CAS number of 5-ethoxy-N,N-diethyl-4-methyl-1,1-dioxo-1lambda6,2-benzothiazepin-3-amine is 61766-85-6.
What is the molecular formula of 5-ethoxy-N,N-diethyl-4-methyl-1,1-dioxo-1lambda6,2-benzothiazepin-3-amine?
The molecular formula of 5-ethoxy-N,N-diethyl-4-methyl-1,1-dioxo-1lambda6,2-benzothiazepin-3-amine is C16H22N2O3S.
What is the molecular weight of 5-ethoxy-N,N-diethyl-4-methyl-1,1-dioxo-1lambda6,2-benzothiazepin-3-amine?
The molecular weight of 5-ethoxy-N,N-diethyl-4-methyl-1,1-dioxo-1lambda6,2-benzothiazepin-3-amine is 322.14 g/mol.
Where can I buy 5-ethoxy-N,N-diethyl-4-methyl-1,1-dioxo-1lambda6,2-benzothiazepin-3-amine?
You can request a quote for 5-ethoxy-N,N-diethyl-4-methyl-1,1-dioxo-1lambda6,2-benzothiazepin-3-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-ethoxy-N,N-diethyl-4-methyl-1,1-dioxo-1lambda6,2-benzothiazepin-3-amine?
Yes, KEHONG BIO provides custom synthesis services for 5-ethoxy-N,N-diethyl-4-methyl-1,1-dioxo-1lambda6,2-benzothiazepin-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.