Watanipidine monohydrochloride
TL;DR: Watanipidine monohydrochloride (CAS 116308-56-6) is a chemical compound with molecular formula C41H43ClN4O6 and molecular weight 722.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-O-[2-[4-(4-benzhydrylpiperazin-1-yl)phenyl]ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride
Also Known As: AE0047 Hydrochloride, Watanipidine HCl, Watanipidine monohydrochloride, HY-U00284, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(4-(4-(diphenylmethyl)-1-piperazinyl)phenyl)ethyl methyl ester, monohydrochloride
| Molecular Formula | C41H43ClN4O6 |
|---|---|
| Molecular Weight | 722.29 g/mol |
| LogP | 7.1219 |
| Topological Polar Surface Area | 114.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 722.2871 |
| Heavy Atoms | 52 |
| Complexity | 1901.5616 |
Chemical Identifiers
| CAS Number | 116308-56-6 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OCCC2=CC=C(C=C2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC(=CC=C6)[N+](=O)[O-])C(=O)OC.Cl |
Product Overview
Watanipidine monohydrochloride (CAS 116308-56-6), with molecular formula C41H43ClN4O6 and molecular weight 722.29 g/mol. IUPAC: 5-O-[2-[4-(4-benzhydrylpiperazin-1-yl)phenyl]ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride.
Chemical Property Profile of Watanipidine monohydrochloride
Property Insights of Watanipidine monohydrochloride
The XLogP value of 7.1219 indicates that Watanipidine monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.25 Ų falls within the moderate polarity range, balancing permeability and solubility for Watanipidine monohydrochloride. Following Lipinski's Rule of Five, Watanipidine monohydrochloride 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 Watanipidine monohydrochloride?
The CAS number of Watanipidine monohydrochloride is 116308-56-6.
What is the molecular formula of Watanipidine monohydrochloride?
The molecular formula of Watanipidine monohydrochloride is C41H43ClN4O6.
What is the molecular weight of Watanipidine monohydrochloride?
The molecular weight of Watanipidine monohydrochloride is 722.29 g/mol.
Where can I buy Watanipidine monohydrochloride?
You can request a quote for Watanipidine monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Watanipidine monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Watanipidine monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.