2R-0636
TL;DR: 2R-0636 (CAS 477889-68-2) is a chemical compound with molecular formula C21H21ClFN3O3S and molecular weight 449.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-2-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-indol-3-yl)propanamide
Also Known As: 2R-0636, N-(4-chloro-2-fluorophenyl)-2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-3-(1H-indol-3-yl)propanamide, N-(4-chloro-2-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-indol-3-yl)propanamide, N-(4-chloro-2-fluorophenyl)-2-(1,1-dioxo-1lambda6-thiomorpholin-4-yl)-3-(1H-indol-3-yl)propanamide, N-(4-Chloro-2-fluorophenyl)-2-(1,1-dioxidothiomorpholino)-3-(1H-indol-3-yl)propanamide
| Molecular Formula | C21H21ClFN3O3S |
|---|---|
| Molecular Weight | 449.10 g/mol |
| LogP | 3.2406 |
| Topological Polar Surface Area | 82.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.09763 |
| Heavy Atoms | 30 |
| Complexity | 1181.1797 |
Chemical Identifiers
| CAS Number | 477889-68-2 |
|---|---|
| SMILES | C1CS(=O)(=O)CCN1C(CC2=CNC3=CC=CC=C32)C(=O)NC4=C(C=C(C=C4)Cl)F |
Product Overview
2R-0636 (CAS 477889-68-2), with molecular formula C21H21ClFN3O3S and molecular weight 449.10 g/mol. IUPAC: N-(4-chloro-2-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-indol-3-yl)propanamide.
Chemical Property Profile of 2R-0636
Property Insights of 2R-0636
The XLogP value of 3.2406 indicates that 2R-0636 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 2R-0636. Following Lipinski's Rule of Five, 2R-0636 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 2R-0636?
The CAS number of 2R-0636 is 477889-68-2.
What is the molecular formula of 2R-0636?
The molecular formula of 2R-0636 is C21H21ClFN3O3S.
What is the molecular weight of 2R-0636?
The molecular weight of 2R-0636 is 449.10 g/mol.
Where can I buy 2R-0636?
You can request a quote for 2R-0636 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2R-0636?
Yes, KEHONG BIO provides custom synthesis services for 2R-0636 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.