Azidopine
TL;DR: Azidopine (CAS 90523-31-2) is a chemical compound with molecular formula C27H26F3N5O5 and molecular weight 557.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-O-[2-[(4-azidobenzoyl)amino]ethyl] 3-O-ethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: Azidopine, AZIDOPINE [WHO-DD], NCI60_005410, SID:87225331, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-(trifluoromethyl)phenyl)-, 2-((4-azidobenzoyl)amino)ethyl ethyl ester
| Molecular Formula | C27H26F3N5O5 |
|---|---|
| Molecular Weight | 557.19 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 557.1886 |
| Heavy Atoms | 40 |
| Complexity | 1070.0 |
Chemical Identifiers
| CAS Number | 90523-31-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2C(F)(F)F)C(=O)OCCNC(=O)C3=CC=C(C=C3)N=[N+]=[N-])C)C |
| InChIKey | SWMHKFTXBOJETC-UHFFFAOYSA-N |
Product Overview
Azidopine (CAS 90523-31-2), with molecular formula C27H26F3N5O5 and molecular weight 557.19 g/mol. IUPAC: 5-O-[2-[(4-azidobenzoyl)amino]ethyl] 3-O-ethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of Azidopine
Property Insights of Azidopine
The XLogP value of 5.7 indicates that Azidopine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Azidopine. Following Lipinski's Rule of Five, Azidopine has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Azidopine?
The CAS number of Azidopine is 90523-31-2.
What is the molecular formula of Azidopine?
The molecular formula of Azidopine is C27H26F3N5O5.
What is the molecular weight of Azidopine?
The molecular weight of Azidopine is 557.19 g/mol.
Where can I buy Azidopine?
You can request a quote for Azidopine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Azidopine?
Yes, KEHONG BIO provides custom synthesis services for Azidopine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.