(±)-尼古地平
TL;DR: (±)-尼古地平 (CAS 102993-22-6) 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 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: NIGULDIPINE, Dexniguldipine, Niguldipino, Niguldipinum, DL-Niguldipine
| 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 | 102993-22-6 |
|---|---|
| SMILES | CC1=C(C(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-UHFFFAOYSA-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 102993-22-6), with molecular formula C36H39N3O6 and molecular weight 609.28 g/mol. IUPAC: 5-O-[3-(4,4-diphenylpiperidin-1-yl)propyl] 3-O-methyl 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 102993-22-6.
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.