3R-0654
TL;DR: 3R-0654 (CAS 478040-67-4) is a chemical compound with molecular formula C23H27N3O3S and molecular weight 425.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide
Also Known As: 3R-0654, 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-3-(1H-indol-3-yl)-N-phenethylpropanamide, 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide, 2-(1,1-dioxo-1lambda6-thiomorpholin-4-yl)-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide, 2-(1,1-Dioxidothiomorpholino)-3-(1H-indol-3-yl)-N-phenethylpropanamide
| Molecular Formula | C23H27N3O3S |
|---|---|
| Molecular Weight | 425.18 g/mol |
| LogP | 2.1683 |
| Topological Polar Surface Area | 82.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 425.1773 |
| Heavy Atoms | 30 |
| Complexity | 1094.9385 |
Chemical Identifiers
| CAS Number | 478040-67-4 |
|---|---|
| SMILES | C1CS(=O)(=O)CCN1C(CC2=CNC3=CC=CC=C32)C(=O)NCCC4=CC=CC=C4 |
Product Overview
3R-0654 (CAS 478040-67-4), with molecular formula C23H27N3O3S and molecular weight 425.18 g/mol. IUPAC: 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide.
Chemical Property Profile of 3R-0654
Property Insights of 3R-0654
The XLogP value of 2.1683 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3R-0654. The TPSA of 82.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 3R-0654. Following Lipinski's Rule of Five, 3R-0654 has 2 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 3R-0654?
The CAS number of 3R-0654 is 478040-67-4.
What is the molecular formula of 3R-0654?
The molecular formula of 3R-0654 is C23H27N3O3S.
What is the molecular weight of 3R-0654?
The molecular weight of 3R-0654 is 425.18 g/mol.
Where can I buy 3R-0654?
You can request a quote for 3R-0654 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3R-0654?
Yes, KEHONG BIO provides custom synthesis services for 3R-0654 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.