ChemDiv1_000950
TL;DR: ChemDiv1_000950 (CAS 314051-98-4) is a chemical compound with molecular formula C22H22N2O6 and molecular weight 410.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenoxyethyl 6-(1,3-benzodioxol-5-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
Also Known As: ChemDiv1_000950, BAS 00612928, 2-phenoxyethyl 4-(1,3-benzodioxol-5-yl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, 2-phenoxyethyl 4-(1,3-benzodioxol-5-yl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 2-phenoxyethyl 6-(1,3-benzodioxol-5-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
| Molecular Formula | C22H22N2O6 |
|---|---|
| Molecular Weight | 410.15 g/mol |
| LogP | 3.0076 |
| Topological Polar Surface Area | 86.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.1478 |
| Heavy Atoms | 30 |
| Complexity | 988.3772 |
Chemical Identifiers
| CAS Number | 314051-98-4 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1C)C2=CC3=C(C=C2)OCO3)C(=O)OCCOC4=CC=CC=C4 |
Product Overview
ChemDiv1_000950 (CAS 314051-98-4), with molecular formula C22H22N2O6 and molecular weight 410.15 g/mol. IUPAC: 2-phenoxyethyl 6-(1,3-benzodioxol-5-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of ChemDiv1_000950
Property Insights of ChemDiv1_000950
The XLogP value of 3.0076 indicates that ChemDiv1_000950 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.33 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_000950. Following Lipinski's Rule of Five, ChemDiv1_000950 has 1 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_000950?
The CAS number of ChemDiv1_000950 is 314051-98-4.
What is the molecular formula of ChemDiv1_000950?
The molecular formula of ChemDiv1_000950 is C22H22N2O6.
What is the molecular weight of ChemDiv1_000950?
The molecular weight of ChemDiv1_000950 is 410.15 g/mol.
Where can I buy ChemDiv1_000950?
You can request a quote for ChemDiv1_000950 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000950?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000950 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.