RefChem:1085093
TL;DR: RefChem:1085093 (CAS 5180-87-0) is a chemical compound with molecular formula C23H29NO7 and molecular weight 431.19 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 2,6-dimethyl-4-(2,3,4-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2,3,4-trimethoxyphenyl)-, ethyl 2-propenyl ester, Ethyl prop-2-en-1-yl 2,6-dimethyl-4-(2,3,4-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate, 3-O-ethyl 5-O-prop-2-enyl 2,6-dimethyl-4-(2,3,4-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate, Ethyl Prop-2-enyl 2,6-dimethyl-4-(2,3,4-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate, RefChem:1085093
| Molecular Formula | C23H29NO7 |
|---|---|
| Molecular Weight | 431.19 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 92.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 431.1944 |
| Heavy Atoms | 31 |
| Complexity | 742.0 |
Chemical Identifiers
| CAS Number | 5180-87-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=C(C(=C(C=C2)OC)OC)OC)C(=O)OCC=C)C)C |
| InChIKey | DIQKZLKEQDIIQX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:1085093 (CAS 5180-87-0), with molecular formula C23H29NO7 and molecular weight 431.19 g/mol. IUPAC: 3-O-ethyl 5-O-prop-2-enyl 2,6-dimethyl-4-(2,3,4-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of RefChem:1085093
Property Insights of RefChem:1085093
The XLogP value of 3.5 indicates that RefChem:1085093 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1085093. Following Lipinski's Rule of Five, RefChem:1085093 has 1 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 RefChem:1085093?
The CAS number of RefChem:1085093 is 5180-87-0.
What is the molecular formula of RefChem:1085093?
The molecular formula of RefChem:1085093 is C23H29NO7.
What is the molecular weight of RefChem:1085093?
The molecular weight of RefChem:1085093 is 431.19 g/mol.
Where can I buy RefChem:1085093?
You can request a quote for RefChem:1085093 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1085093?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1085093 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.