Elgodipine
TL;DR: Elgodipine (CAS 119413-55-7) is a chemical compound with molecular formula C29H33FN2O6 and molecular weight 524.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O-[2-[(4-fluorophenyl)methyl-methylamino]ethyl] 5-O-propan-2-yl 4-(1,3-benzodioxol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: Elgodipine, Elgodipino, Elgodipinum, Elgodipine [INN], Elgodipinum [INN-Latin]
| Molecular Formula | C29H33FN2O6 |
|---|---|
| Molecular Weight | 524.23 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 86.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 524.23224 |
| Heavy Atoms | 38 |
| Complexity | 926.0 |
Chemical Identifiers
| CAS Number | 119413-55-7 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=C3C(=CC=C2)OCO3)C(=O)OCCN(C)CC4=CC=C(C=C4)F |
| InChIKey | ZGRIPYHIFXGCHR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Elgodipine (CAS 119413-55-7), with molecular formula C29H33FN2O6 and molecular weight 524.23 g/mol. IUPAC: 3-O-[2-[(4-fluorophenyl)methyl-methylamino]ethyl] 5-O-propan-2-yl 4-(1,3-benzodioxol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of Elgodipine
Property Insights of Elgodipine
The XLogP value of 4.8 indicates that Elgodipine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Elgodipine. Following Lipinski's Rule of Five, Elgodipine has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Elgodipine?
The CAS number of Elgodipine is 119413-55-7.
What is the molecular formula of Elgodipine?
The molecular formula of Elgodipine is C29H33FN2O6.
What is the molecular weight of Elgodipine?
The molecular weight of Elgodipine is 524.23 g/mol.
Where can I buy Elgodipine?
You can request a quote for Elgodipine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Elgodipine?
Yes, KEHONG BIO provides custom synthesis services for Elgodipine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.