ChemDiv1_017677
TL;DR: ChemDiv1_017677 (CAS 300712-11-2) is a chemical compound with molecular formula C22H26N4O6 and molecular weight 442.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-(5-ethoxycarbonyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ChemDiv1_017677, BAS 00336671, J2.794.617H, diethyl 4,4'-(1,4-phenylene)bis(6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate), ethyl 4-[4-(5-ethoxycarbonyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C22H26N4O6 |
|---|---|
| Molecular Weight | 442.19 g/mol |
| LogP | 2.0686 |
| Topological Polar Surface Area | 134.86 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.18524 |
| Heavy Atoms | 32 |
| Complexity | 930.7523 |
Chemical Identifiers
| CAS Number | 300712-11-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)C3C(=C(NC(=O)N3)C)C(=O)OCC)C |
Product Overview
ChemDiv1_017677 (CAS 300712-11-2), with molecular formula C22H26N4O6 and molecular weight 442.19 g/mol. IUPAC: ethyl 4-[4-(5-ethoxycarbonyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ChemDiv1_017677
Property Insights of ChemDiv1_017677
The XLogP value of 2.0686 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_017677. The TPSA of 134.86 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_017677. Following Lipinski's Rule of Five, ChemDiv1_017677 has 4 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 ChemDiv1_017677?
The CAS number of ChemDiv1_017677 is 300712-11-2.
What is the molecular formula of ChemDiv1_017677?
The molecular formula of ChemDiv1_017677 is C22H26N4O6.
What is the molecular weight of ChemDiv1_017677?
The molecular weight of ChemDiv1_017677 is 442.19 g/mol.
Where can I buy ChemDiv1_017677?
You can request a quote for ChemDiv1_017677 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_017677?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_017677 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.