ChemDiv1_021450
TL;DR: ChemDiv1_021450 (CAS 313702-26-0) is a chemical compound with molecular formula C21H23N3O3S and molecular weight 397.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,4-dimethoxyphenyl)-6-methyl-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: ChemDiv1_021450, 4-(2,4-dimethoxyphenyl)-6-methyl-N-(2-methylphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide, F1011-1211, 4-(2,4-dimethoxyphenyl)-6-methyl-2-thioxo-N-(o-tolyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide, 4-(2,4-dimethoxyphenyl)-6-methyl-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
| Molecular Formula | C21H23N3O3S |
|---|---|
| Molecular Weight | 397.15 g/mol |
| LogP | 3.44372 |
| Topological Polar Surface Area | 71.62 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.14603 |
| Heavy Atoms | 28 |
| Complexity | 955.66205 |
Chemical Identifiers
| CAS Number | 313702-26-0 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C2=C(NC(=S)NC2C3=C(C=C(C=C3)OC)OC)C |
Product Overview
ChemDiv1_021450 (CAS 313702-26-0), with molecular formula C21H23N3O3S and molecular weight 397.15 g/mol. IUPAC: 4-(2,4-dimethoxyphenyl)-6-methyl-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of ChemDiv1_021450
Property Insights of ChemDiv1_021450
The XLogP value of 3.44372 indicates that ChemDiv1_021450 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.62 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_021450. Following Lipinski's Rule of Five, ChemDiv1_021450 has 3 hydrogen bond donor(s) and 4 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_021450?
The CAS number of ChemDiv1_021450 is 313702-26-0.
What is the molecular formula of ChemDiv1_021450?
The molecular formula of ChemDiv1_021450 is C21H23N3O3S.
What is the molecular weight of ChemDiv1_021450?
The molecular weight of ChemDiv1_021450 is 397.15 g/mol.
Where can I buy ChemDiv1_021450?
You can request a quote for ChemDiv1_021450 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021450?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021450 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.