1,3-benzodioxol-5-ylmethyl 4-(2-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
TL;DR: 1,3-benzodioxol-5-ylmethyl 4-(2-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 418798-79-5) is a chemical compound with molecular formula C20H17ClN2O5 and molecular weight 400.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-5-ylmethyl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: 1,3-benzodioxol-5-ylmethyl 4-(2-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, (2H-1,3-BENZODIOXOL-5-YL)METHYL 4-(2-CHLOROPHENYL)-6-METHYL-2-OXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE, 1,3-benzodioxol-5-ylmethyl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate, 2H-benzo[d]1,3-dioxolan-5-ylmethyl 6-(2-chlorophenyl)-4-methyl-2-oxo-1,3,6-tri hydropyrimidine-5-carboxylate, benzo[d][1,3]dioxol-5-ylmethyl 4-(2-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C20H17ClN2O5 |
|---|---|
| Molecular Weight | 400.08 g/mol |
| LogP | 3.44 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.0826 |
| Heavy Atoms | 28 |
| Complexity | 988.3114 |
Chemical Identifiers
| CAS Number | 418798-79-5 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=CC=CC=C2Cl)C(=O)OCC3=CC4=C(C=C3)OCO4 |
Product Overview
1,3-benzodioxol-5-ylmethyl 4-(2-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 418798-79-5), with molecular formula C20H17ClN2O5 and molecular weight 400.08 g/mol. IUPAC: 1,3-benzodioxol-5-ylmethyl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of 1,3-benzodioxol-5-ylmethyl 4-(2-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Property Insights of 1,3-benzodioxol-5-ylmethyl 4-(2-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
The XLogP value of 3.44 indicates that 1,3-benzodioxol-5-ylmethyl 4-(2-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-benzodioxol-5-ylmethyl 4-(2-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate. Following Lipinski's Rule of Five, 1,3-benzodioxol-5-ylmethyl 4-(2-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate has 2 hydrogen bond donor(s) and 5 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 1,3-benzodioxol-5-ylmethyl 4-(2-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The CAS number of 1,3-benzodioxol-5-ylmethyl 4-(2-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is 418798-79-5.
What is the molecular formula of 1,3-benzodioxol-5-ylmethyl 4-(2-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The molecular formula of 1,3-benzodioxol-5-ylmethyl 4-(2-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is C20H17ClN2O5.
What is the molecular weight of 1,3-benzodioxol-5-ylmethyl 4-(2-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The molecular weight of 1,3-benzodioxol-5-ylmethyl 4-(2-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is 400.08 g/mol.
Where can I buy 1,3-benzodioxol-5-ylmethyl 4-(2-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
You can request a quote for 1,3-benzodioxol-5-ylmethyl 4-(2-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-benzodioxol-5-ylmethyl 4-(2-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-benzodioxol-5-ylmethyl 4-(2-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.