4-(3-chlorophenyl)-N-(2-ethoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide
TL;DR: 4-(3-chlorophenyl)-N-(2-ethoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide (CAS 397882-39-2) is a chemical compound with molecular formula C20H20ClN3O2S and molecular weight 401.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chlorophenyl)-N-(2-ethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: 4-(3-chlorophenyl)-N-(2-ethoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide, F1011-1481, 4-(3-chlorophenyl)-N-(2-ethoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide, 4-(3-chlorophenyl)-N-(2-ethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
| Molecular Formula | C20H20ClN3O2S |
|---|---|
| Molecular Weight | 401.10 g/mol |
| LogP | 4.1702 |
| Topological Polar Surface Area | 62.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.09647 |
| Heavy Atoms | 27 |
| Complexity | 913.60474 |
Chemical Identifiers
| CAS Number | 397882-39-2 |
|---|---|
| SMILES | CCOC1=CC=CC=C1NC(=O)C2=C(NC(=S)NC2C3=CC(=CC=C3)Cl)C |
Product Overview
4-(3-chlorophenyl)-N-(2-ethoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide (CAS 397882-39-2), with molecular formula C20H20ClN3O2S and molecular weight 401.10 g/mol. IUPAC: 4-(3-chlorophenyl)-N-(2-ethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of 4-(3-chlorophenyl)-N-(2-ethoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide
Property Insights of 4-(3-chlorophenyl)-N-(2-ethoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide
The XLogP value of 4.1702 indicates that 4-(3-chlorophenyl)-N-(2-ethoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-chlorophenyl)-N-(2-ethoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide. Following Lipinski's Rule of Five, 4-(3-chlorophenyl)-N-(2-ethoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide has 3 hydrogen bond donor(s) and 3 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 4-(3-chlorophenyl)-N-(2-ethoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide?
The CAS number of 4-(3-chlorophenyl)-N-(2-ethoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide is 397882-39-2.
What is the molecular formula of 4-(3-chlorophenyl)-N-(2-ethoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide?
The molecular formula of 4-(3-chlorophenyl)-N-(2-ethoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide is C20H20ClN3O2S.
What is the molecular weight of 4-(3-chlorophenyl)-N-(2-ethoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide?
The molecular weight of 4-(3-chlorophenyl)-N-(2-ethoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide is 401.10 g/mol.
Where can I buy 4-(3-chlorophenyl)-N-(2-ethoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide?
You can request a quote for 4-(3-chlorophenyl)-N-(2-ethoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-chlorophenyl)-N-(2-ethoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-chlorophenyl)-N-(2-ethoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.