Ethyl (4S)-4-(2H-1,3-benzodioxol-5-yl)-2-hydroxy-1,6-dimethyl-1,4-dihydropyrimidine-5-carboxylate
TL;DR: Ethyl (4S)-4-(2H-1,3-benzodioxol-5-yl)-2-hydroxy-1,6-dimethyl-1,4-dihydropyrimidine-5-carboxylate (CAS 219814-79-6) is a chemical compound with molecular formula C16H18N2O5 and molecular weight 318.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (6S)-6-(1,3-benzodioxol-5-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
Also Known As: Ethyl (4S)-4-(2H-1,3-benzodioxol-5-yl)-2-hydroxy-1,6-dimethyl-1,4-dihydropyrimidine-5-carboxylate, ethyl (6S)-6-(1,3-benzodioxol-5-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate, Ethyl 4-(2H-1,3-benzodioxol-5-yl)-2-hydroxy-1,6-dimethyl-1,4-dihydropyrimidine-5-carboxylate
| Molecular Formula | C16H18N2O5 |
|---|---|
| Molecular Weight | 318.12 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.12158 |
| Heavy Atoms | 23 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 219814-79-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=O)N[C@H]1C2=CC3=C(C=C2)OCO3)C)C |
| InChIKey | RYSLAXNYFGOSGK-AWEZNQCLSA-N |
Product Overview
Ethyl (4S)-4-(2H-1,3-benzodioxol-5-yl)-2-hydroxy-1,6-dimethyl-1,4-dihydropyrimidine-5-carboxylate (CAS 219814-79-6), with molecular formula C16H18N2O5 and molecular weight 318.12 g/mol. IUPAC: ethyl (6S)-6-(1,3-benzodioxol-5-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl (4S)-4-(2H-1,3-benzodioxol-5-yl)-2-hydroxy-1,6-dimethyl-1,4-dihydropyrimidine-5-carboxylate
Property Insights of Ethyl (4S)-4-(2H-1,3-benzodioxol-5-yl)-2-hydroxy-1,6-dimethyl-1,4-dihydropyrimidine-5-carboxylate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (4S)-4-(2H-1,3-benzodioxol-5-yl)-2-hydroxy-1,6-dimethyl-1,4-dihydropyrimidine-5-carboxylate. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (4S)-4-(2H-1,3-benzodioxol-5-yl)-2-hydroxy-1,6-dimethyl-1,4-dihydropyrimidine-5-carboxylate. Following Lipinski's Rule of Five, Ethyl (4S)-4-(2H-1,3-benzodioxol-5-yl)-2-hydroxy-1,6-dimethyl-1,4-dihydropyrimidine-5-carboxylate has 1 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 Ethyl (4S)-4-(2H-1,3-benzodioxol-5-yl)-2-hydroxy-1,6-dimethyl-1,4-dihydropyrimidine-5-carboxylate?
The CAS number of Ethyl (4S)-4-(2H-1,3-benzodioxol-5-yl)-2-hydroxy-1,6-dimethyl-1,4-dihydropyrimidine-5-carboxylate is 219814-79-6.
What is the molecular formula of Ethyl (4S)-4-(2H-1,3-benzodioxol-5-yl)-2-hydroxy-1,6-dimethyl-1,4-dihydropyrimidine-5-carboxylate?
The molecular formula of Ethyl (4S)-4-(2H-1,3-benzodioxol-5-yl)-2-hydroxy-1,6-dimethyl-1,4-dihydropyrimidine-5-carboxylate is C16H18N2O5.
What is the molecular weight of Ethyl (4S)-4-(2H-1,3-benzodioxol-5-yl)-2-hydroxy-1,6-dimethyl-1,4-dihydropyrimidine-5-carboxylate?
The molecular weight of Ethyl (4S)-4-(2H-1,3-benzodioxol-5-yl)-2-hydroxy-1,6-dimethyl-1,4-dihydropyrimidine-5-carboxylate is 318.12 g/mol.
Where can I buy Ethyl (4S)-4-(2H-1,3-benzodioxol-5-yl)-2-hydroxy-1,6-dimethyl-1,4-dihydropyrimidine-5-carboxylate?
You can request a quote for Ethyl (4S)-4-(2H-1,3-benzodioxol-5-yl)-2-hydroxy-1,6-dimethyl-1,4-dihydropyrimidine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (4S)-4-(2H-1,3-benzodioxol-5-yl)-2-hydroxy-1,6-dimethyl-1,4-dihydropyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (4S)-4-(2H-1,3-benzodioxol-5-yl)-2-hydroxy-1,6-dimethyl-1,4-dihydropyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.