ChemDiv1_009955
TL;DR: ChemDiv1_009955 (CAS 438244-19-0) is a chemical compound with molecular formula C22H20N4O3S and molecular weight 420.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 6-methyl-2-oxo-4-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ChemDiv1_009955, allyl 6-methyl-2-oxo-4-(1-phenyl-3-thien-2-yl-1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate, prop-2-en-1-yl 6-methyl-2-oxo-4-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate, prop-2-enyl 6-methyl-2-oxo-4-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C22H20N4O3S |
|---|---|
| Molecular Weight | 420.13 g/mol |
| LogP | 3.9579 |
| Topological Polar Surface Area | 85.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.1256 |
| Heavy Atoms | 30 |
| Complexity | 1116.7264 |
Chemical Identifiers
| CAS Number | 438244-19-0 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C(=O)OCC=C |
Product Overview
ChemDiv1_009955 (CAS 438244-19-0), with molecular formula C22H20N4O3S and molecular weight 420.13 g/mol. IUPAC: prop-2-enyl 6-methyl-2-oxo-4-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ChemDiv1_009955
Property Insights of ChemDiv1_009955
The XLogP value of 3.9579 indicates that ChemDiv1_009955 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.25 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009955. Following Lipinski's Rule of Five, ChemDiv1_009955 has 2 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_009955?
The CAS number of ChemDiv1_009955 is 438244-19-0.
What is the molecular formula of ChemDiv1_009955?
The molecular formula of ChemDiv1_009955 is C22H20N4O3S.
What is the molecular weight of ChemDiv1_009955?
The molecular weight of ChemDiv1_009955 is 420.13 g/mol.
Where can I buy ChemDiv1_009955?
You can request a quote for ChemDiv1_009955 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009955?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009955 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.