3R-0629
TL;DR: 3R-0629 (CAS 478040-54-9) is a chemical compound with molecular formula C21H24N4O3S and molecular weight 412.16 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-(pyridin-2-ylmethyl)propanamide
Also Known As: 3R-0629, 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-indol-3-yl)-N-(pyridin-2-ylmethyl)propanamide, 2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-3-(1H-indol-3-yl)-N-(2-pyridinylmethyl)propanamide, 2-(1,1-dioxo-1lambda6-thiomorpholin-4-yl)-3-(1H-indol-3-yl)-N-[(pyridin-2-yl)methyl]propanamide, 2-(1,1-Dioxidothiomorpholino)-3-(1H-indol-3-yl)-N-(pyridin-2-ylmethyl)propanamide
| Molecular Formula | C21H24N4O3S |
|---|---|
| Molecular Weight | 412.16 g/mol |
| LogP | 1.5208 |
| Topological Polar Surface Area | 95.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.15692 |
| Heavy Atoms | 29 |
| Complexity | 1081.3264 |
Chemical Identifiers
| CAS Number | 478040-54-9 |
|---|---|
| SMILES | C1CS(=O)(=O)CCN1C(CC2=CNC3=CC=CC=C32)C(=O)NCC4=CC=CC=N4 |
Product Overview
3R-0629 (CAS 478040-54-9), with molecular formula C21H24N4O3S and molecular weight 412.16 g/mol. IUPAC: 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-indol-3-yl)-N-(pyridin-2-ylmethyl)propanamide.
Chemical Property Profile of 3R-0629
Property Insights of 3R-0629
The XLogP value of 1.5208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3R-0629. The TPSA of 95.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 3R-0629. Following Lipinski's Rule of Five, 3R-0629 has 2 hydrogen bond donor(s) and 5 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-0629?
The CAS number of 3R-0629 is 478040-54-9.
What is the molecular formula of 3R-0629?
The molecular formula of 3R-0629 is C21H24N4O3S.
What is the molecular weight of 3R-0629?
The molecular weight of 3R-0629 is 412.16 g/mol.
Where can I buy 3R-0629?
You can request a quote for 3R-0629 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3R-0629?
Yes, KEHONG BIO provides custom synthesis services for 3R-0629 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.