2R-0676
TL;DR: 2R-0676 (CAS 477889-86-4) is a chemical compound with molecular formula C23H27N3O5S and molecular weight 457.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,5-dimethoxyphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-indol-3-yl)propanamide
Also Known As: 2R-0676, N-(2,5-dimethoxyphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-indol-3-yl)propanamide, N-(2,5-dimethoxyphenyl)-2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-3-(1H-indol-3-yl)propanamide, N-(2,5-dimethoxyphenyl)-2-(1,1-dioxo-1lambda6-thiomorpholin-4-yl)-3-(1H-indol-3-yl)propanamide, N-(2,5-Dimethoxyphenyl)-2-(1,1-dioxidothiomorpholino)-3-(1H-indol-3-yl)propanamide
| Molecular Formula | C23H27N3O5S |
|---|---|
| Molecular Weight | 457.17 g/mol |
| LogP | 2.4653 |
| Topological Polar Surface Area | 100.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.16714 |
| Heavy Atoms | 32 |
| Complexity | 1207.3499 |
Chemical Identifiers
| CAS Number | 477889-86-4 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)NC(=O)C(CC2=CNC3=CC=CC=C32)N4CCS(=O)(=O)CC4 |
Product Overview
2R-0676 (CAS 477889-86-4), with molecular formula C23H27N3O5S and molecular weight 457.17 g/mol. IUPAC: N-(2,5-dimethoxyphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-indol-3-yl)propanamide.
Chemical Property Profile of 2R-0676
Property Insights of 2R-0676
The XLogP value of 2.4653 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2R-0676. The TPSA of 100.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 2R-0676. Following Lipinski's Rule of Five, 2R-0676 has 2 hydrogen bond donor(s) and 6 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 2R-0676?
The CAS number of 2R-0676 is 477889-86-4.
What is the molecular formula of 2R-0676?
The molecular formula of 2R-0676 is C23H27N3O5S.
What is the molecular weight of 2R-0676?
The molecular weight of 2R-0676 is 457.17 g/mol.
Where can I buy 2R-0676?
You can request a quote for 2R-0676 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2R-0676?
Yes, KEHONG BIO provides custom synthesis services for 2R-0676 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.