4-Nitrophenyl pyridin-4-ylcarbamate
TL;DR: 4-Nitrophenyl pyridin-4-ylcarbamate (CAS 117654-54-3) is a chemical compound with molecular formula C44H71F2NO5 and molecular weight 731.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ditetradecyl 4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: 4-Nitrophenyl pyridin-4-ylcarbamate, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(difluoromethoxy)phenyl)-2,6-dimethyl-, ditetradecyl ester, ditetradecyl 4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, 3,5-Pyridinedicarboxylicacid, 4-[2-(difluoromethoxy)phenyl]-1,4-dihydro-2,6-dimethyl-, 3,5-ditetradecylester, BRN 6032930
| Molecular Formula | C44H71F2NO5 |
|---|---|
| Molecular Weight | 731.53 g/mol |
| LogP | 13.0114 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 31 |
| Exact Mass | 731.53 |
| Heavy Atoms | 52 |
| Complexity | 1132.8315 |
Chemical Identifiers
| CAS Number | 117654-54-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2OC(F)F)C(=O)OCCCCCCCCCCCCCC)C)C |
Product Overview
4-Nitrophenyl pyridin-4-ylcarbamate (CAS 117654-54-3), with molecular formula C44H71F2NO5 and molecular weight 731.53 g/mol. IUPAC: ditetradecyl 4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of 4-Nitrophenyl pyridin-4-ylcarbamate
Property Insights of 4-Nitrophenyl pyridin-4-ylcarbamate
The XLogP value of 13.0114 indicates that 4-Nitrophenyl pyridin-4-ylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrophenyl pyridin-4-ylcarbamate. Following Lipinski's Rule of Five, 4-Nitrophenyl pyridin-4-ylcarbamate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Nitrophenyl pyridin-4-ylcarbamate?
The CAS number of 4-Nitrophenyl pyridin-4-ylcarbamate is 117654-54-3.
What is the molecular formula of 4-Nitrophenyl pyridin-4-ylcarbamate?
The molecular formula of 4-Nitrophenyl pyridin-4-ylcarbamate is C44H71F2NO5.
What is the molecular weight of 4-Nitrophenyl pyridin-4-ylcarbamate?
The molecular weight of 4-Nitrophenyl pyridin-4-ylcarbamate is 731.53 g/mol.
Where can I buy 4-Nitrophenyl pyridin-4-ylcarbamate?
You can request a quote for 4-Nitrophenyl pyridin-4-ylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophenyl pyridin-4-ylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl pyridin-4-ylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.