3-(Diethylamino)-4-methyl-1H-1lambda~6~,2-benzothiazepine-1,1,5(4H)-trione
TL;DR: 3-(Diethylamino)-4-methyl-1H-1lambda~6~,2-benzothiazepine-1,1,5(4H)-trione (CAS 61766-89-0) is a chemical compound with molecular formula C14H18N2O3S and molecular weight 294.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(diethylamino)-4-methyl-1,1-dioxo-4H-1λ6,2-benzothiazepin-5-one
Also Known As: 3-(diethylamino)-4-methyl-1,1-dioxo-4H-1, 3-(Diethylamino)-4-methyl-1H-1lambda~6~,2-benzothiazepine-1,1,5(4H)-trione, 3-(diethylamino)-4-methyl-1,1-dioxo-4H-1lambda6,2-benzothiazepin-
| Molecular Formula | C14H18N2O3S |
|---|---|
| Molecular Weight | 294.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 75.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.10382 |
| Heavy Atoms | 20 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 61766-89-0 |
|---|---|
| SMILES | CCN(CC)C1=NS(=O)(=O)C2=CC=CC=C2C(=O)C1C |
| InChIKey | ZYQWTWYNKCEAIH-UHFFFAOYSA-N |
Product Overview
3-(Diethylamino)-4-methyl-1H-1lambda~6~,2-benzothiazepine-1,1,5(4H)-trione (CAS 61766-89-0), with molecular formula C14H18N2O3S and molecular weight 294.10 g/mol. IUPAC: 3-(diethylamino)-4-methyl-1,1-dioxo-4H-1λ6,2-benzothiazepin-5-one.
Chemical Property Profile of 3-(Diethylamino)-4-methyl-1H-1lambda~6~,2-benzothiazepine-1,1,5(4H)-trione
Property Insights of 3-(Diethylamino)-4-methyl-1H-1lambda~6~,2-benzothiazepine-1,1,5(4H)-trione
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Diethylamino)-4-methyl-1H-1lambda~6~,2-benzothiazepine-1,1,5(4H)-trione. The TPSA of 75.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Diethylamino)-4-methyl-1H-1lambda~6~,2-benzothiazepine-1,1,5(4H)-trione. Following Lipinski's Rule of Five, 3-(Diethylamino)-4-methyl-1H-1lambda~6~,2-benzothiazepine-1,1,5(4H)-trione 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 3-(Diethylamino)-4-methyl-1H-1lambda~6~,2-benzothiazepine-1,1,5(4H)-trione?
The CAS number of 3-(Diethylamino)-4-methyl-1H-1lambda~6~,2-benzothiazepine-1,1,5(4H)-trione is 61766-89-0.
What is the molecular formula of 3-(Diethylamino)-4-methyl-1H-1lambda~6~,2-benzothiazepine-1,1,5(4H)-trione?
The molecular formula of 3-(Diethylamino)-4-methyl-1H-1lambda~6~,2-benzothiazepine-1,1,5(4H)-trione is C14H18N2O3S.
What is the molecular weight of 3-(Diethylamino)-4-methyl-1H-1lambda~6~,2-benzothiazepine-1,1,5(4H)-trione?
The molecular weight of 3-(Diethylamino)-4-methyl-1H-1lambda~6~,2-benzothiazepine-1,1,5(4H)-trione is 294.10 g/mol.
Where can I buy 3-(Diethylamino)-4-methyl-1H-1lambda~6~,2-benzothiazepine-1,1,5(4H)-trione?
You can request a quote for 3-(Diethylamino)-4-methyl-1H-1lambda~6~,2-benzothiazepine-1,1,5(4H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Diethylamino)-4-methyl-1H-1lambda~6~,2-benzothiazepine-1,1,5(4H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 3-(Diethylamino)-4-methyl-1H-1lambda~6~,2-benzothiazepine-1,1,5(4H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.