RefChem:138854
TL;DR: RefChem:138854 (CAS 52013-82-8) is a chemical compound with molecular formula C13H17N3O3S and molecular weight 295.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 8-ethyl-2-methylsulfanyl-5-oxo-6,7-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
Also Known As: Cerium titanium oxide (CeTiO4), Ethyl 8-ethyl-5,6,7,8-tetrahydro-2-(methylthio)-5-oxopyrido(2,3-d)pyrimidine-6-carboxylate, 8-Ethyl-5,6,7,8-tetrahydro-2-(methylthio)-5-oxo-pyrido(2,3-d)pyrimidine-6-carboxylic acid ethyl ester, ethyl 8-ethyl-2-methylsulfanyl-5-oxo-6,7-dihydropyrido[2,3-d]pyrimidine-6-carboxylate, ethyl 8-ethyl-5,6,7,8-tetrahydro-2-(methylthio)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate
| Molecular Formula | C13H17N3O3S |
|---|---|
| Molecular Weight | 295.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 97.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 295.09906 |
| Heavy Atoms | 20 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 52013-82-8 |
|---|---|
| SMILES | CCN1CC(C(=O)C2=CN=C(N=C21)SC)C(=O)OCC |
| InChIKey | FVWILZVHZREXKA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:138854 (CAS 52013-82-8), with molecular formula C13H17N3O3S and molecular weight 295.10 g/mol. IUPAC: ethyl 8-ethyl-2-methylsulfanyl-5-oxo-6,7-dihydropyrido[2,3-d]pyrimidine-6-carboxylate.
Chemical Property Profile of RefChem:138854
Property Insights of RefChem:138854
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:138854. The TPSA of 97.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:138854. Following Lipinski's Rule of Five, RefChem:138854 has 0 hydrogen bond donor(s) and 7 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 RefChem:138854?
The CAS number of RefChem:138854 is 52013-82-8.
What is the molecular formula of RefChem:138854?
The molecular formula of RefChem:138854 is C13H17N3O3S.
What is the molecular weight of RefChem:138854?
The molecular weight of RefChem:138854 is 295.10 g/mol.
Where can I buy RefChem:138854?
You can request a quote for RefChem:138854 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:138854?
Yes, KEHONG BIO provides custom synthesis services for RefChem:138854 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.