ChemDiv1_002077
TL;DR: ChemDiv1_002077 (CAS 306753-58-2) is a chemical compound with molecular formula C22H24N2O4S and molecular weight 412.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanylethyl 6-methyl-2-oxo-4-(2-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ChemDiv1_002077, BAS 00915467, A1848/0077763, 2-(methylsulfanyl)ethyl 4-[2-(benzyloxy)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 2-(methylsulfanyl)ethyl 4-[2-(benzyloxy)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
| Molecular Formula | C22H24N2O4S |
|---|---|
| Molecular Weight | 412.15 g/mol |
| LogP | 3.7997 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 412.1457 |
| Heavy Atoms | 29 |
| Complexity | 898.69507 |
Chemical Identifiers
| CAS Number | 306753-58-2 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=CC=CC=C2OCC3=CC=CC=C3)C(=O)OCCSC |
Product Overview
ChemDiv1_002077 (CAS 306753-58-2), with molecular formula C22H24N2O4S and molecular weight 412.15 g/mol. IUPAC: 2-methylsulfanylethyl 6-methyl-2-oxo-4-(2-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ChemDiv1_002077
Property Insights of ChemDiv1_002077
The XLogP value of 3.7997 indicates that ChemDiv1_002077 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002077. Following Lipinski's Rule of Five, ChemDiv1_002077 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 ChemDiv1_002077?
The CAS number of ChemDiv1_002077 is 306753-58-2.
What is the molecular formula of ChemDiv1_002077?
The molecular formula of ChemDiv1_002077 is C22H24N2O4S.
What is the molecular weight of ChemDiv1_002077?
The molecular weight of ChemDiv1_002077 is 412.15 g/mol.
Where can I buy ChemDiv1_002077?
You can request a quote for ChemDiv1_002077 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002077?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002077 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.