ChemDiv1_002223
TL;DR: ChemDiv1_002223 (CAS 330848-77-6) is a chemical compound with molecular formula C22H22N2O7 and molecular weight 426.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-5-ylmethyl 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ChemDiv1_002223, A1944/0081677, 1,3-benzodioxol-5-ylmethyl 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 1,3-benzodioxol-5-ylmethyl 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, 1,3-benzodioxol-5-ylmethyl 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C22H22N2O7 |
|---|---|
| Molecular Weight | 426.14 g/mol |
| LogP | 2.8909 |
| Topological Polar Surface Area | 115.35 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.1427 |
| Heavy Atoms | 31 |
| Complexity | 1063.8201 |
Chemical Identifiers
| CAS Number | 330848-77-6 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2C(=C(NC(=O)N2)C)C(=O)OCC3=CC4=C(C=C3)OCO4)O |
Product Overview
ChemDiv1_002223 (CAS 330848-77-6), with molecular formula C22H22N2O7 and molecular weight 426.14 g/mol. IUPAC: 1,3-benzodioxol-5-ylmethyl 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ChemDiv1_002223
Property Insights of ChemDiv1_002223
The XLogP value of 2.8909 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_002223. The TPSA of 115.35 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002223. Following Lipinski's Rule of Five, ChemDiv1_002223 has 3 hydrogen bond donor(s) and 7 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_002223?
The CAS number of ChemDiv1_002223 is 330848-77-6.
What is the molecular formula of ChemDiv1_002223?
The molecular formula of ChemDiv1_002223 is C22H22N2O7.
What is the molecular weight of ChemDiv1_002223?
The molecular weight of ChemDiv1_002223 is 426.14 g/mol.
Where can I buy ChemDiv1_002223?
You can request a quote for ChemDiv1_002223 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002223?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002223 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.