ChemDiv1_001989
TL;DR: ChemDiv1_001989 (CAS 5612-05-5) is a chemical compound with molecular formula C20H18Cl2N2O4 and molecular weight 420.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxyphenyl)methyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ChemDiv1_001989, BAS 00915449, (4-METHOXYPHENYL)METHYL 4-(3,4-DICHLOROPHENYL)-6-METHYL-2-OXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE, (4-methoxyphenyl)methyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate, 4-methoxybenzyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
| Molecular Formula | C20H18Cl2N2O4 |
|---|---|
| Molecular Weight | 420.06 g/mol |
| LogP | 4.3733 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.06436 |
| Heavy Atoms | 28 |
| Complexity | 941.7219 |
Chemical Identifiers
| CAS Number | 5612-05-5 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)Cl)Cl)C(=O)OCC3=CC=C(C=C3)OC |
Product Overview
ChemDiv1_001989 (CAS 5612-05-5), with molecular formula C20H18Cl2N2O4 and molecular weight 420.06 g/mol. IUPAC: (4-methoxyphenyl)methyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ChemDiv1_001989
Property Insights of ChemDiv1_001989
The XLogP value of 4.3733 indicates that ChemDiv1_001989 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_001989. Following Lipinski's Rule of Five, ChemDiv1_001989 has 2 hydrogen bond donor(s) and 4 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_001989?
The CAS number of ChemDiv1_001989 is 5612-05-5.
What is the molecular formula of ChemDiv1_001989?
The molecular formula of ChemDiv1_001989 is C20H18Cl2N2O4.
What is the molecular weight of ChemDiv1_001989?
The molecular weight of ChemDiv1_001989 is 420.06 g/mol.
Where can I buy ChemDiv1_001989?
You can request a quote for ChemDiv1_001989 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001989?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001989 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.