3-Pyridinecarboxylic acid, 1,4-dihydro-5-(5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(4-(diphenylmethyl)-1-piperazinyl)ethyl ester, P-oxide, hydrochloride
TL;DR: 3-Pyridinecarboxylic acid, 1,4-dihydro-5-(5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(4-(diphenylmethyl)-1-piperazinyl)ethyl ester, P-oxide, hydrochloride (CAS 124416-41-7) is a chemical compound with molecular formula C38H46ClN4O7P and molecular weight 736.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-benzhydrylpiperazin-1-yl)ethyl 5-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate;hydrochloride
Also Known As: 3-Pyridinecarboxylic acid, 1,4-dihydro-5-(5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(4-(diphenylmethyl)-1-piperazinyl)ethyl ester, P-oxide, hydrochloride, 2-(4-benzhydrylpiperazin-1-yl)ethyl 5-(5,5-dimethyl-2-oxo-1,3,2, 2-[4-(Diphenylmethyl)piperazin-1-yl]ethyl 5-(5,5-dimethyl-2-oxo-1,3,2lambda~5~-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate--hydrogen chloride (1/1), RefChem:282202
| Molecular Formula | C38H46ClN4O7P |
|---|---|
| Molecular Weight | 736.28 g/mol |
| LogP | 7.4254 |
| Topological Polar Surface Area | 123.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 736.27924 |
| Heavy Atoms | 51 |
| Complexity | 1774.3258 |
Chemical Identifiers
| CAS Number | 124416-41-7 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)P2(=O)OCC(CO2)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCN4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6.Cl |
Product Overview
3-Pyridinecarboxylic acid, 1,4-dihydro-5-(5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(4-(diphenylmethyl)-1-piperazinyl)ethyl ester, P-oxide, hydrochloride (CAS 124416-41-7), with molecular formula C38H46ClN4O7P and molecular weight 736.28 g/mol. IUPAC: 2-(4-benzhydrylpiperazin-1-yl)ethyl 5-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate;hydrochloride.
Chemical Property Profile of 3-Pyridinecarboxylic acid, 1,4-dihydro-5-(5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(4-(diphenylmethyl)-1-piperazinyl)ethyl ester, P-oxide, hydrochloride
Property Insights of 3-Pyridinecarboxylic acid, 1,4-dihydro-5-(5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(4-(diphenylmethyl)-1-piperazinyl)ethyl ester, P-oxide, hydrochloride
The XLogP value of 7.4254 indicates that 3-Pyridinecarboxylic acid, 1,4-dihydro-5-(5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(4-(diphenylmethyl)-1-piperazinyl)ethyl ester, P-oxide, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Pyridinecarboxylic acid, 1,4-dihydro-5-(5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(4-(diphenylmethyl)-1-piperazinyl)ethyl ester, P-oxide, hydrochloride. Following Lipinski's Rule of Five, 3-Pyridinecarboxylic acid, 1,4-dihydro-5-(5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(4-(diphenylmethyl)-1-piperazinyl)ethyl ester, P-oxide, hydrochloride has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Pyridinecarboxylic acid, 1,4-dihydro-5-(5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(4-(diphenylmethyl)-1-piperazinyl)ethyl ester, P-oxide, hydrochloride?
The CAS number of 3-Pyridinecarboxylic acid, 1,4-dihydro-5-(5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(4-(diphenylmethyl)-1-piperazinyl)ethyl ester, P-oxide, hydrochloride is 124416-41-7.
What is the molecular formula of 3-Pyridinecarboxylic acid, 1,4-dihydro-5-(5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(4-(diphenylmethyl)-1-piperazinyl)ethyl ester, P-oxide, hydrochloride?
The molecular formula of 3-Pyridinecarboxylic acid, 1,4-dihydro-5-(5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(4-(diphenylmethyl)-1-piperazinyl)ethyl ester, P-oxide, hydrochloride is C38H46ClN4O7P.
What is the molecular weight of 3-Pyridinecarboxylic acid, 1,4-dihydro-5-(5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(4-(diphenylmethyl)-1-piperazinyl)ethyl ester, P-oxide, hydrochloride?
The molecular weight of 3-Pyridinecarboxylic acid, 1,4-dihydro-5-(5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(4-(diphenylmethyl)-1-piperazinyl)ethyl ester, P-oxide, hydrochloride is 736.28 g/mol.
Where can I buy 3-Pyridinecarboxylic acid, 1,4-dihydro-5-(5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(4-(diphenylmethyl)-1-piperazinyl)ethyl ester, P-oxide, hydrochloride?
You can request a quote for 3-Pyridinecarboxylic acid, 1,4-dihydro-5-(5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(4-(diphenylmethyl)-1-piperazinyl)ethyl ester, P-oxide, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinecarboxylic acid, 1,4-dihydro-5-(5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(4-(diphenylmethyl)-1-piperazinyl)ethyl ester, P-oxide, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarboxylic acid, 1,4-dihydro-5-(5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(4-(diphenylmethyl)-1-piperazinyl)ethyl ester, P-oxide, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.