ChemDiv1_000851
TL;DR: ChemDiv1_000851 (CAS 294197-71-0) is a chemical compound with molecular formula C22H24N2O5S and molecular weight 428.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylsulfanylethyl 4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ChemDiv1_000851, BAS 00380710, 2-phenylsulfanylethyl 4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate, F0265-0013, A1041/0048766
| Molecular Formula | C22H24N2O5S |
|---|---|
| Molecular Weight | 428.14 g/mol |
| LogP | 3.6672 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 428.1406 |
| Heavy Atoms | 30 |
| Complexity | 945.799 |
Chemical Identifiers
| CAS Number | 294197-71-0 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=C(C=C(C=C2)OC)OC)C(=O)OCCSC3=CC=CC=C3 |
Product Overview
ChemDiv1_000851 (CAS 294197-71-0), with molecular formula C22H24N2O5S and molecular weight 428.14 g/mol. IUPAC: 2-phenylsulfanylethyl 4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ChemDiv1_000851
Property Insights of ChemDiv1_000851
The XLogP value of 3.6672 indicates that ChemDiv1_000851 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.89 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_000851. Following Lipinski's Rule of Five, ChemDiv1_000851 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 ChemDiv1_000851?
The CAS number of ChemDiv1_000851 is 294197-71-0.
What is the molecular formula of ChemDiv1_000851?
The molecular formula of ChemDiv1_000851 is C22H24N2O5S.
What is the molecular weight of ChemDiv1_000851?
The molecular weight of ChemDiv1_000851 is 428.14 g/mol.
Where can I buy ChemDiv1_000851?
You can request a quote for ChemDiv1_000851 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000851?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000851 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.