阿折地平
TL;DR: 阿折地平 (CAS 123524-52-7) is a chemical compound with molecular formula C33H34N4O6 and molecular weight 582.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
阿折地平
3-O-(1-benzhydrylazetidin-3-yl) 5-O-propan-2-yl 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: Azelnidipine, Calblock, Azelnidipino, azelnidipinum, Azelnidipine [INN]
| Molecular Formula | C33H34N4O6 |
|---|---|
| Molecular Weight | 582.25 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 582.24786 |
| Heavy Atoms | 43 |
| Complexity | 1080.0 |
| Melting Point | 193-195 |
| Solubility | Insoluble in water |
Chemical Identifiers
| CAS Number | 123524-52-7 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)N)C(=O)OC2CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC(C)C |
| InChIKey | ZKFQEACEUNWPMT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
阿折地平 (CAS 123524-52-7), with molecular formula C33H34N4O6 and molecular weight 582.25 g/mol. IUPAC: 3-O-(1-benzhydrylazetidin-3-yl) 5-O-propan-2-yl 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of 阿折地平
Property Insights of 阿折地平
The XLogP value of 6.0 indicates that 阿折地平 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.0 Ų indicates high polarity, suggesting 阿折地平 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 阿折地平 has 2 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 阿折地平?
The CAS number of 阿折地平 is 123524-52-7.
What is the molecular formula of 阿折地平?
The molecular formula of 阿折地平 is C33H34N4O6.
What is the molecular weight of 阿折地平?
The molecular weight of 阿折地平 is 582.25 g/mol.
Where can I buy 阿折地平?
You can request a quote for 阿折地平 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿折地平?
Yes, KEHONG BIO provides custom synthesis services for 阿折地平 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.