ChemDiv1_007259
TL;DR: ChemDiv1_007259 (CAS 346715-14-8) is a chemical compound with molecular formula C20H17N3O8 and molecular weight 427.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-5-ylmethyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ChemDiv1_007259, BIM-0000274.P001, 1,3-benzodioxol-5-ylmethyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, (2H-1,3-BENZODIOXOL-5-YL)METHYL 4-(4-HYDROXY-3-NITROPHENYL)-6-METHYL-2-OXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE, 1,3-benzodioxol-5-ylmethyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C20H17N3O8 |
|---|---|
| Molecular Weight | 427.10 g/mol |
| LogP | 2.4004 |
| Topological Polar Surface Area | 149.26 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 427.10156 |
| Heavy Atoms | 31 |
| Complexity | 1127.4032 |
Chemical Identifiers
| CAS Number | 346715-14-8 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)OCC3=CC4=C(C=C3)OCO4 |
Product Overview
ChemDiv1_007259 (CAS 346715-14-8), with molecular formula C20H17N3O8 and molecular weight 427.10 g/mol. IUPAC: 1,3-benzodioxol-5-ylmethyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ChemDiv1_007259
Property Insights of ChemDiv1_007259
The XLogP value of 2.4004 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_007259. The TPSA of 149.26 Ų indicates high polarity, suggesting ChemDiv1_007259 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_007259 has 3 hydrogen bond donor(s) and 8 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_007259?
The CAS number of ChemDiv1_007259 is 346715-14-8.
What is the molecular formula of ChemDiv1_007259?
The molecular formula of ChemDiv1_007259 is C20H17N3O8.
What is the molecular weight of ChemDiv1_007259?
The molecular weight of ChemDiv1_007259 is 427.10 g/mol.
Where can I buy ChemDiv1_007259?
You can request a quote for ChemDiv1_007259 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007259?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007259 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.