A3490/0147934
TL;DR: A3490/0147934 (CAS 696652-77-4) is a chemical compound with molecular formula C22H20F3N3O5 and molecular weight 463.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(1,3-benzodioxol-5-yl)-2-oxo-6-[[4-(trifluoromethyl)anilino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: A3490/0147934, ethyl 4-(1,3-benzodioxol-5-yl)-2-oxo-6-({[4-(trifluoromethyl)phenyl]amino}methyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate, ethyl 4-(1,3-benzodioxol-5-yl)-2-oxo-6-[[4-(trifluoromethyl)anilino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate, ETHYL 4-(2H-1,3-BENZODIOXOL-5-YL)-2-OXO-6-({[4-(TRIFLUOROMETHYL)PHENYL]AMINO}METHYL)-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE, ethyl 4-(benzo[d][1,3]dioxol-5-yl)-2-oxo-6-(((4-(trifluoromethyl)phenyl)amino)methyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C22H20F3N3O5 |
|---|---|
| Molecular Weight | 463.14 g/mol |
| LogP | 3.7173 |
| Topological Polar Surface Area | 97.92 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 463.1355 |
| Heavy Atoms | 33 |
| Complexity | 1099.4456 |
Chemical Identifiers
| CAS Number | 696652-77-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)CNC4=CC=C(C=C4)C(F)(F)F |
Product Overview
A3490/0147934 (CAS 696652-77-4), with molecular formula C22H20F3N3O5 and molecular weight 463.14 g/mol. IUPAC: ethyl 4-(1,3-benzodioxol-5-yl)-2-oxo-6-[[4-(trifluoromethyl)anilino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of A3490/0147934
Property Insights of A3490/0147934
The XLogP value of 3.7173 indicates that A3490/0147934 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.92 Ų falls within the moderate polarity range, balancing permeability and solubility for A3490/0147934. Following Lipinski's Rule of Five, A3490/0147934 has 3 hydrogen bond donor(s) and 6 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 A3490/0147934?
The CAS number of A3490/0147934 is 696652-77-4.
What is the molecular formula of A3490/0147934?
The molecular formula of A3490/0147934 is C22H20F3N3O5.
What is the molecular weight of A3490/0147934?
The molecular weight of A3490/0147934 is 463.14 g/mol.
Where can I buy A3490/0147934?
You can request a quote for A3490/0147934 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3490/0147934?
Yes, KEHONG BIO provides custom synthesis services for A3490/0147934 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.