Watanidipine
TL;DR: Watanidipine (CAS 116308-55-5) is a chemical compound with molecular formula C41H42N4O6 and molecular weight 686.31 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
Also Known As: Vatanidipine, Watanidipine, vatanidipino, vatanidipinum, Harmol
| Molecular Formula | C41H42N4O6 |
|---|---|
| Molecular Weight | 686.31 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 686.3104 |
| Heavy Atoms | 51 |
| Complexity | 1250.0 |
Chemical Identifiers
| CAS Number | 116308-55-5 |
|---|---|
| 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 |
| InChIKey | OTTHUQAYARCXLP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Watanidipine (CAS 116308-55-5), with molecular formula C41H42N4O6 and molecular weight 686.31 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.
Chemical Property Profile of Watanidipine
Property Insights of Watanidipine
The XLogP value of 7.6 indicates that Watanidipine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Watanidipine. Following Lipinski's Rule of Five, Watanidipine 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 Watanidipine?
The CAS number of Watanidipine is 116308-55-5.
What is the molecular formula of Watanidipine?
The molecular formula of Watanidipine is C41H42N4O6.
What is the molecular weight of Watanidipine?
The molecular weight of Watanidipine is 686.31 g/mol.
Where can I buy Watanidipine?
You can request a quote for Watanidipine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Watanidipine?
Yes, KEHONG BIO provides custom synthesis services for Watanidipine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.