ChemDiv3_010275
TL;DR: ChemDiv3_010275 (CAS 866340-19-4) is a chemical compound with molecular formula C21H22N2O5S2 and molecular weight 446.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-(benzenesulfonylmethyl)-4-(4-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ChemDiv3_010275, ethyl 6-[(benzenesulfonyl)methyl]-4-[4-(methylsulfanyl)phenyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, BRD-A22124220-001-01-1, ethyl 6-(benzenesulfonylmethyl)-4-(4-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate, ethyl 4-[4-(methylthio)phenyl]-2-oxo-6-[(phenylsulfonyl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C21H22N2O5S2 |
|---|---|
| Molecular Weight | 446.10 g/mol |
| LogP | 3.0535 |
| Topological Polar Surface Area | 101.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 446.09702 |
| Heavy Atoms | 30 |
| Complexity | 1064.3353 |
Chemical Identifiers
| CAS Number | 866340-19-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)SC)CS(=O)(=O)C3=CC=CC=C3 |
Product Overview
ChemDiv3_010275 (CAS 866340-19-4), with molecular formula C21H22N2O5S2 and molecular weight 446.10 g/mol. IUPAC: ethyl 6-(benzenesulfonylmethyl)-4-(4-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ChemDiv3_010275
Property Insights of ChemDiv3_010275
The XLogP value of 3.0535 indicates that ChemDiv3_010275 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.57 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_010275. Following Lipinski's Rule of Five, ChemDiv3_010275 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 ChemDiv3_010275?
The CAS number of ChemDiv3_010275 is 866340-19-4.
What is the molecular formula of ChemDiv3_010275?
The molecular formula of ChemDiv3_010275 is C21H22N2O5S2.
What is the molecular weight of ChemDiv3_010275?
The molecular weight of ChemDiv3_010275 is 446.10 g/mol.
Where can I buy ChemDiv3_010275?
You can request a quote for ChemDiv3_010275 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_010275?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_010275 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.