RefChem:1083263
TL;DR: RefChem:1083263 (CAS 94609-90-2) is a chemical compound with molecular formula C36H43F2NO5 and molecular weight 607.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(1-adamantyl) 4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: NCI60_034212, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(difluoromethoxy)phenyl)-2,6-dimethyl-, bis(tricyclo(3.3.1.1(sup 3,7))dec-1-yl ester, bis(1-adamantyl) 4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, 1-Adamanthyl 4-(2-difluoromethoxyphenyl)-2,4-dihydropyridine-3,5-dicarboxylate, Di(1-adamantyl) 4-(2-(difluoromethoxy)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
| Molecular Formula | C36H43F2NO5 |
|---|---|
| Molecular Weight | 607.31 g/mol |
| LogP | 8.8 |
| Topological Polar Surface Area | 73.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 607.3109 |
| Heavy Atoms | 44 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 94609-90-2 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5OC(F)F)C(=O)OC67CC8CC(C6)CC(C8)C7 |
| InChIKey | JPKRBGMUYHFBAA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:1083263 (CAS 94609-90-2), with molecular formula C36H43F2NO5 and molecular weight 607.31 g/mol. IUPAC: bis(1-adamantyl) 4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of RefChem:1083263
Property Insights of RefChem:1083263
The XLogP value of 8.8 indicates that RefChem:1083263 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1083263. Following Lipinski's Rule of Five, RefChem:1083263 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 RefChem:1083263?
The CAS number of RefChem:1083263 is 94609-90-2.
What is the molecular formula of RefChem:1083263?
The molecular formula of RefChem:1083263 is C36H43F2NO5.
What is the molecular weight of RefChem:1083263?
The molecular weight of RefChem:1083263 is 607.31 g/mol.
Where can I buy RefChem:1083263?
You can request a quote for RefChem:1083263 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1083263?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1083263 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.