ChemDiv3_000466
TL;DR: ChemDiv3_000466 (CAS 301858-68-4) is a chemical compound with molecular formula C20H19FN2O3 and molecular weight 354.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-benzyl-6-(2-fluorophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
Also Known As: ChemDiv3_000466, methyl 1-benzyl-4-(2-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, AB00124879-02, BRD-A08537300-001-01-5, F1038-0027
| Molecular Formula | C20H19FN2O3 |
|---|---|
| Molecular Weight | 354.14 g/mol |
| LogP | 3.5392 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.13797 |
| Heavy Atoms | 26 |
| Complexity | 864.3698 |
Chemical Identifiers
| CAS Number | 301858-68-4 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1CC2=CC=CC=C2)C3=CC=CC=C3F)C(=O)OC |
Product Overview
ChemDiv3_000466 (CAS 301858-68-4), with molecular formula C20H19FN2O3 and molecular weight 354.14 g/mol. IUPAC: methyl 3-benzyl-6-(2-fluorophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of ChemDiv3_000466
Property Insights of ChemDiv3_000466
The XLogP value of 3.5392 indicates that ChemDiv3_000466 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, ChemDiv3_000466 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_000466 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 ChemDiv3_000466?
The CAS number of ChemDiv3_000466 is 301858-68-4.
What is the molecular formula of ChemDiv3_000466?
The molecular formula of ChemDiv3_000466 is C20H19FN2O3.
What is the molecular weight of ChemDiv3_000466?
The molecular weight of ChemDiv3_000466 is 354.14 g/mol.
Where can I buy ChemDiv3_000466?
You can request a quote for ChemDiv3_000466 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_000466?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_000466 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.