ChemDiv1_002176
TL;DR: ChemDiv1_002176 (CAS 329072-66-4) is a chemical compound with molecular formula C27H26N2O5 and molecular weight 458.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenoxyethyl 6-methyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ChemDiv1_002176, A1917/0080592, 2-phenoxyethyl 4-[4-(benzyloxy)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 2-phenoxyethyl 4-(4-(benzyloxy)phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 2-phenoxyethyl 4-[4-(benzyloxy)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
| Molecular Formula | C27H26N2O5 |
|---|---|
| Molecular Weight | 458.18 g/mol |
| LogP | 4.5157 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 458.18417 |
| Heavy Atoms | 34 |
| Complexity | 1144.6576 |
Chemical Identifiers
| CAS Number | 329072-66-4 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)OCCOC4=CC=CC=C4 |
Product Overview
ChemDiv1_002176 (CAS 329072-66-4), with molecular formula C27H26N2O5 and molecular weight 458.18 g/mol. IUPAC: 2-phenoxyethyl 6-methyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ChemDiv1_002176
Property Insights of ChemDiv1_002176
The XLogP value of 4.5157 indicates that ChemDiv1_002176 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.89 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002176. Following Lipinski's Rule of Five, ChemDiv1_002176 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_002176?
The CAS number of ChemDiv1_002176 is 329072-66-4.
What is the molecular formula of ChemDiv1_002176?
The molecular formula of ChemDiv1_002176 is C27H26N2O5.
What is the molecular weight of ChemDiv1_002176?
The molecular weight of ChemDiv1_002176 is 458.18 g/mol.
Where can I buy ChemDiv1_002176?
You can request a quote for ChemDiv1_002176 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002176?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002176 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.