ChemDiv1_021193
TL;DR: ChemDiv1_021193 (CAS 330952-72-2) is a chemical compound with molecular formula C22H25N3O4S and molecular weight 427.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: ChemDiv1_021193, BAS 01434457, 4-(2,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide, 4-(2,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide, [6-(2,4-dimethoxyphenyl)-4-methyl-2-thioxo(1,3,6-trihydropyrimidin-5-yl)]-N-(4 -ethoxyphenyl)carboxamide
| Molecular Formula | C22H25N3O4S |
|---|---|
| Molecular Weight | 427.16 g/mol |
| LogP | 3.534 |
| Topological Polar Surface Area | 80.85 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 427.1566 |
| Heavy Atoms | 30 |
| Complexity | 972.84796 |
Chemical Identifiers
| CAS Number | 330952-72-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)C2=C(NC(=S)NC2C3=C(C=C(C=C3)OC)OC)C |
Product Overview
ChemDiv1_021193 (CAS 330952-72-2), with molecular formula C22H25N3O4S and molecular weight 427.16 g/mol. IUPAC: 4-(2,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of ChemDiv1_021193
Property Insights of ChemDiv1_021193
The XLogP value of 3.534 indicates that ChemDiv1_021193 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.85 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_021193. Following Lipinski's Rule of Five, ChemDiv1_021193 has 3 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_021193?
The CAS number of ChemDiv1_021193 is 330952-72-2.
What is the molecular formula of ChemDiv1_021193?
The molecular formula of ChemDiv1_021193 is C22H25N3O4S.
What is the molecular weight of ChemDiv1_021193?
The molecular weight of ChemDiv1_021193 is 427.16 g/mol.
Where can I buy ChemDiv1_021193?
You can request a quote for ChemDiv1_021193 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021193?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021193 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.