RefChem:1085095
TL;DR: RefChem:1085095 (CAS 518-06-9) is a chemical compound with molecular formula C20H22ClNO4 and molecular weight 375.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O-ethyl 5-O-prop-2-enyl 4-(2-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: ethyl prop-2-en-1-yl 4-(2-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, Ethyl 2-propenyl 2,6-dimethyl-4-(2-chlorophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-chlorophenyl)-2,6-dimethyl-, ethyl 2-propenyl ester, 2,6-dimethyl-4-(2'-chlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3-ethyl ester-5-allyl ester, 3-O-ethyl 5-O-prop-2-enyl 4-(2-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
| Molecular Formula | C20H22ClNO4 |
|---|---|
| Molecular Weight | 375.12 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 375.12375 |
| Heavy Atoms | 26 |
| Complexity | 638.0 |
Chemical Identifiers
| CAS Number | 518-06-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OCC=C)C)C |
| InChIKey | IUNHNUXLUKQDPO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:1085095 (CAS 518-06-9), with molecular formula C20H22ClNO4 and molecular weight 375.12 g/mol. IUPAC: 3-O-ethyl 5-O-prop-2-enyl 4-(2-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of RefChem:1085095
Property Insights of RefChem:1085095
The XLogP value of 5.3 indicates that RefChem:1085095 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1085095. Following Lipinski's Rule of Five, RefChem:1085095 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1085095?
The CAS number of RefChem:1085095 is 518-06-9.
What is the molecular formula of RefChem:1085095?
The molecular formula of RefChem:1085095 is C20H22ClNO4.
What is the molecular weight of RefChem:1085095?
The molecular weight of RefChem:1085095 is 375.12 g/mol.
Where can I buy RefChem:1085095?
You can request a quote for RefChem:1085095 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1085095?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1085095 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.