CD-832.HCl
TL;DR: CD-832.HCl (CAS 129904-81-0) is a chemical compound with molecular formula C26H28ClN5O10 and molecular weight 605.15247 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-O-(3-nitrooxypropyl) 5-O-[2-(pyridine-3-carbonylamino)ethyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride
Also Known As: CD-832.HCl, 4-(3,4-dimethylphenyl)-4-oxobut-2-enoic acid, 2-(pyridine-3-carbonylamino)ethyl 3-nitrooxypropyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-(3-(nitrooxy)propyl) 5-(2-((3-pyridinylcarbonyl)amino)ethyl) ester, monohydrochloride, 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3-(2-nicotinoylaminoethyl) ester 5-(3-nitrooxypropyl) ester hydrochloride
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C26H28ClN5O10 |
| Molecular Weight | 605.15247 g/mol |
| XLogP | 2.7612 |
| Topological Polar Surface Area (TPSA) | 207.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 605.15247 Da |
| Heavy Atoms | 42 |
| Complexity | 1060.0 |
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OCCNC(=O)C2=CN=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCCO[N+](=O)[O-].Cl |
| InChIKey | MWVXLKFCDZXILL-UHFFFAOYSA-N |
Chemical Property Profile of CD-832.HCl
Property Insights of CD-832.HCl
The XLogP value of 2.7612 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CD-832.HCl. The TPSA of 207.0 Ų indicates high polarity, suggesting CD-832.HCl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CD-832.HCl has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of CD-832.HCl?
The CAS number of CD-832.HCl is 129904-81-0.
What is the molecular formula of CD-832.HCl?
The molecular formula of CD-832.HCl is C26H28ClN5O10.
What is the molecular weight of CD-832.HCl?
The molecular weight of CD-832.HCl is 605.15247 g/mol.
Where can I buy CD-832.HCl?
You can request a quote for CD-832.HCl directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for CD-832.HCl?
Yes, CoreyChem provides custom synthesis services for CD-832.HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.