RefChem:357535
TL;DR: RefChem:357535 (CAS 109493-34-7) is a chemical compound with molecular formula C21H22N4O3S and molecular weight 410.14127 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-benzyl-3,7-dimethyl-6-(morpholine-4-carbonyl)-2-sulfanylidenepyrido[2,3-d]pyrimidin-4-one
Also Known As: Morpholine, 4-((1,2,3,4-tetrahydro-3,7-dimethyl-4-oxo-1-(phenylmethyl)-2-thioxopyrido(2,3-d)pyrimidin-6-yl)carbonyl)-, 1-benzyl-3,7-dimethyl-6-(morpholine-4-carbonyl)-2-sulfanylidenepyrido[2,3-d]pyrimidin-4-one, Morpholine, 4-((1,2,3,4-tetrahydro-3,7-dimethyl-4-oxo-1-(phenylmethyl) -2-thioxopyrido(2,3-d)pyrimid, 1-Benzyl-3,7-dimethyl-6-(morpholine-4-carbonyl)-2-sulfanylidene-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one, Morpholine,4-((1,2,3,4-tetrahydro-3,7-dimethyl-4-oxo-1-(phenylmethyl)-2-thioxopyrido(2,3-d)pyrimidin-6-yl)carbonyl)
Technical Specifications
| Molecular Formula | C21H22N4O3S |
| Molecular Weight | 410.14127 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 98.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 410.14127 Da |
| Heavy Atoms | 29 |
| Complexity | 648.0 |
| SMILES | CC1=C(C=C2C(=N1)N(C(=S)N(C2=O)C)CC3=CC=CC=C3)C(=O)N4CCOCC4 |
| InChIKey | MGQVPUFOMAHBAR-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:357535
Property Insights of RefChem:357535
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:357535. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:357535. Following Lipinski's Rule of Five, RefChem:357535 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:357535?
The CAS number of RefChem:357535 is 109493-34-7.
What is the molecular formula of RefChem:357535?
The molecular formula of RefChem:357535 is C21H22N4O3S.
What is the molecular weight of RefChem:357535?
The molecular weight of RefChem:357535 is 410.14127 g/mol.
Where can I buy RefChem:357535?
You can request a quote for RefChem:357535 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:357535?
Yes, CoreyChem provides custom synthesis services for RefChem:357535 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.