![4-{2-[1-(4-methylbenzoyl)-1H-indol-3-yl]ethyl}-1lambda~6~,4-thiazinane-1,1-dione structure](/static/products/4391/439108-45-9.webp)
4-{2-[1-(4-methylbenzoyl)-1H-indol-3-yl]ethyl}-1lambda~6~,4-thiazinane-1,1-dione
TL;DR: 4-{2-[1-(4-methylbenzoyl)-1H-indol-3-yl]ethyl}-1lambda~6~,4-thiazinane-1,1-dione (CAS 439108-45-9) is a chemical compound with molecular formula C22H24N2O3S and molecular weight 396.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]indol-1-yl]-(4-methylphenyl)methanone
Also Known As: Bionet1_004820, 4-{2-[1-(4-methylbenzoyl)-1H-indol-3-yl]ethyl}-1lambda~6~,4-thiazinane-1,1-dione, 4R-0673, [3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]indol-1-yl]-(4-methylphenyl)methanone, 4-{2-[1-(4-methylbenzoyl)-1H-indol-3-yl]ethyl}-1lambda6-thiomorpholine-1,1-dione
| Molecular Formula | C22H24N2O3S |
|---|---|
| Molecular Weight | 396.15 g/mol |
| LogP | 2.91112 |
| Topological Polar Surface Area | 59.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.15076 |
| Heavy Atoms | 28 |
| Complexity | 1100.3943 |
Chemical Identifiers
| CAS Number | 439108-45-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)N2C=C(C3=CC=CC=C32)CCN4CCS(=O)(=O)CC4 |
Product Overview
4-{2-[1-(4-methylbenzoyl)-1H-indol-3-yl]ethyl}-1lambda~6~,4-thiazinane-1,1-dione (CAS 439108-45-9), with molecular formula C22H24N2O3S and molecular weight 396.15 g/mol. IUPAC: [3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]indol-1-yl]-(4-methylphenyl)methanone.
Chemical Property Profile of 4-{2-[1-(4-methylbenzoyl)-1H-indol-3-yl]ethyl}-1lambda~6~,4-thiazinane-1,1-dione
Property Insights of 4-{2-[1-(4-methylbenzoyl)-1H-indol-3-yl]ethyl}-1lambda~6~,4-thiazinane-1,1-dione
The XLogP value of 2.91112 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{2-[1-(4-methylbenzoyl)-1H-indol-3-yl]ethyl}-1lambda~6~,4-thiazinane-1,1-dione. With a topological polar surface area (TPSA) of 59.38 Ų, 4-{2-[1-(4-methylbenzoyl)-1H-indol-3-yl]ethyl}-1lambda~6~,4-thiazinane-1,1-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{2-[1-(4-methylbenzoyl)-1H-indol-3-yl]ethyl}-1lambda~6~,4-thiazinane-1,1-dione 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 4-{2-[1-(4-methylbenzoyl)-1H-indol-3-yl]ethyl}-1lambda~6~,4-thiazinane-1,1-dione?
The CAS number of 4-{2-[1-(4-methylbenzoyl)-1H-indol-3-yl]ethyl}-1lambda~6~,4-thiazinane-1,1-dione is 439108-45-9.
What is the molecular formula of 4-{2-[1-(4-methylbenzoyl)-1H-indol-3-yl]ethyl}-1lambda~6~,4-thiazinane-1,1-dione?
The molecular formula of 4-{2-[1-(4-methylbenzoyl)-1H-indol-3-yl]ethyl}-1lambda~6~,4-thiazinane-1,1-dione is C22H24N2O3S.
What is the molecular weight of 4-{2-[1-(4-methylbenzoyl)-1H-indol-3-yl]ethyl}-1lambda~6~,4-thiazinane-1,1-dione?
The molecular weight of 4-{2-[1-(4-methylbenzoyl)-1H-indol-3-yl]ethyl}-1lambda~6~,4-thiazinane-1,1-dione is 396.15 g/mol.
Where can I buy 4-{2-[1-(4-methylbenzoyl)-1H-indol-3-yl]ethyl}-1lambda~6~,4-thiazinane-1,1-dione?
You can request a quote for 4-{2-[1-(4-methylbenzoyl)-1H-indol-3-yl]ethyl}-1lambda~6~,4-thiazinane-1,1-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{2-[1-(4-methylbenzoyl)-1H-indol-3-yl]ethyl}-1lambda~6~,4-thiazinane-1,1-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-{2-[1-(4-methylbenzoyl)-1H-indol-3-yl]ethyl}-1lambda~6~,4-thiazinane-1,1-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.