ChemDiv1_008742
TL;DR: ChemDiv1_008742 (CAS 418798-88-6) is a chemical compound with molecular formula C24H26N2O7 and molecular weight 454.17 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-methoxy-4-propoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ChemDiv1_008742, 1,3-benzodioxol-5-ylmethyl 4-(3-methoxy-4-propoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, (2H-1,3-BENZODIOXOL-5-YL)METHYL 4-(3-METHOXY-4-PROPOXYPHENYL)-6-METHYL-2-OXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE, 1,3-benzodioxol-5-ylmethyl 4-(3-methoxy-4-propoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate, 2H-benzo[d]1,3-dioxolan-5-ylmethyl 6-(3-methoxy-4-propoxyphenyl)-4-methyl-2-ox o-1,3,6-trihydropyrimidine-5-carboxylate
| Molecular Formula | C24H26N2O7 |
|---|---|
| Molecular Weight | 454.17 g/mol |
| LogP | 3.584 |
| Topological Polar Surface Area | 104.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 454.174 |
| Heavy Atoms | 33 |
| Complexity | 1096.2155 |
Chemical Identifiers
| CAS Number | 418798-88-6 |
|---|---|
| SMILES | CCCOC1=C(C=C(C=C1)C2C(=C(NC(=O)N2)C)C(=O)OCC3=CC4=C(C=C3)OCO4)OC |
Product Overview
ChemDiv1_008742 (CAS 418798-88-6), with molecular formula C24H26N2O7 and molecular weight 454.17 g/mol. IUPAC: 1,3-benzodioxol-5-ylmethyl 4-(3-methoxy-4-propoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ChemDiv1_008742
Property Insights of ChemDiv1_008742
The XLogP value of 3.584 indicates that ChemDiv1_008742 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.35 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008742. Following Lipinski's Rule of Five, ChemDiv1_008742 has 2 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_008742?
The CAS number of ChemDiv1_008742 is 418798-88-6.
What is the molecular formula of ChemDiv1_008742?
The molecular formula of ChemDiv1_008742 is C24H26N2O7.
What is the molecular weight of ChemDiv1_008742?
The molecular weight of ChemDiv1_008742 is 454.17 g/mol.
Where can I buy ChemDiv1_008742?
You can request a quote for ChemDiv1_008742 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008742?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008742 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.