尼古地平
TL;DR: 尼古地平 (CAS 113165-32-5) is a chemical compound with molecular formula C36H39N3O6 and molecular weight 609.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
尼古地平
5-O-[3-(4,4-diphenylpiperidin-1-yl)propyl] 3-O-methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: NIGULDIPINE, (S)-Niguldipine, Niguldipinum, Niguldipino, Niguldipine [INN]
| Molecular Formula | C36H39N3O6 |
|---|---|
| Molecular Weight | 609.28 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 609.2839 |
| Heavy Atoms | 45 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 113165-32-5 |
|---|---|
| SMILES | CC1=C([C@@H](C(=C(N1)C)C(=O)OCCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC |
| InChIKey | SVJMLYUFVDMUHP-XIFFEERXSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
尼古地平 (CAS 113165-32-5), with molecular formula C36H39N3O6 and molecular weight 609.28 g/mol. IUPAC: 5-O-[3-(4,4-diphenylpiperidin-1-yl)propyl] 3-O-methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of 尼古地平
Property Insights of 尼古地平
The XLogP value of 6.8 indicates that 尼古地平 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 尼古地平. Following Lipinski's Rule of Five, 尼古地平 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 尼古地平?
The CAS number of 尼古地平 is 113165-32-5.
What is the molecular formula of 尼古地平?
The molecular formula of 尼古地平 is C36H39N3O6.
What is the molecular weight of 尼古地平?
The molecular weight of 尼古地平 is 609.28 g/mol.
Where can I buy 尼古地平?
You can request a quote for 尼古地平 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 尼古地平?
Yes, KEHONG BIO provides custom synthesis services for 尼古地平 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.