ChemDiv1_003541
TL;DR: ChemDiv1_003541 (CAS 312622-31-4) is a chemical compound with molecular formula C22H21F3N2O3 and molecular weight 418.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl 3,4-dimethyl-2-oxo-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate
Also Known As: ChemDiv1_003541, 2-phenylethyl 1,6-dimethyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 2-phenylethyl 1,6-dimethyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, 2-phenylethyl 3,4-dimethyl-2-oxo-6-[2-(trifluoromethyl)phenyl]-1,3,6-trihydrop yrimidine-5-carboxylate, 2-phenylethyl 3,4-dimethyl-2-oxo-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate
| Molecular Formula | C22H21F3N2O3 |
|---|---|
| Molecular Weight | 418.15 g/mol |
| LogP | 4.4614 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.15042 |
| Heavy Atoms | 30 |
| Complexity | 971.0931 |
Chemical Identifiers
| CAS Number | 312622-31-4 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1C)C2=CC=CC=C2C(F)(F)F)C(=O)OCCC3=CC=CC=C3 |
Product Overview
ChemDiv1_003541 (CAS 312622-31-4), with molecular formula C22H21F3N2O3 and molecular weight 418.15 g/mol. IUPAC: 2-phenylethyl 3,4-dimethyl-2-oxo-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of ChemDiv1_003541
Property Insights of ChemDiv1_003541
The XLogP value of 4.4614 indicates that ChemDiv1_003541 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, ChemDiv1_003541 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_003541 has 1 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 ChemDiv1_003541?
The CAS number of ChemDiv1_003541 is 312622-31-4.
What is the molecular formula of ChemDiv1_003541?
The molecular formula of ChemDiv1_003541 is C22H21F3N2O3.
What is the molecular weight of ChemDiv1_003541?
The molecular weight of ChemDiv1_003541 is 418.15 g/mol.
Where can I buy ChemDiv1_003541?
You can request a quote for ChemDiv1_003541 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003541?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003541 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.