ChemDiv1_023076
TL;DR: ChemDiv1_023076 (CAS 397848-69-0) is a chemical compound with molecular formula C20H21N3O3S and molecular weight 383.13 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-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: ChemDiv1_023076, BIM-0038782.P001, 4-(2,4-dimethoxyphenyl)-6-methyl-N-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide, 4-(2,4-dimethoxyphenyl)-6-methyl-N-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide, F1011-1210
| Molecular Formula | C20H21N3O3S |
|---|---|
| Molecular Weight | 383.13 g/mol |
| LogP | 3.1353 |
| Topological Polar Surface Area | 71.62 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.13037 |
| Heavy Atoms | 27 |
| Complexity | 896.59985 |
Chemical Identifiers
| CAS Number | 397848-69-0 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=C(C=C(C=C2)OC)OC)C(=O)NC3=CC=CC=C3 |
Product Overview
ChemDiv1_023076 (CAS 397848-69-0), with molecular formula C20H21N3O3S and molecular weight 383.13 g/mol. IUPAC: 4-(2,4-dimethoxyphenyl)-6-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of ChemDiv1_023076
Property Insights of ChemDiv1_023076
The XLogP value of 3.1353 indicates that ChemDiv1_023076 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_023076. Following Lipinski's Rule of Five, ChemDiv1_023076 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_023076?
The CAS number of ChemDiv1_023076 is 397848-69-0.
What is the molecular formula of ChemDiv1_023076?
The molecular formula of ChemDiv1_023076 is C20H21N3O3S.
What is the molecular weight of ChemDiv1_023076?
The molecular weight of ChemDiv1_023076 is 383.13 g/mol.
Where can I buy ChemDiv1_023076?
You can request a quote for ChemDiv1_023076 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023076?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023076 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.