![6-(2-(4-bromophenyl)-2-oxoethoxy)-8-isobutyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile structure](/static/products/840/840464-54-2.png)
6-(2-(4-bromophenyl)-2-oxoethoxy)-8-isobutyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
TL;DR: 6-(2-(4-bromophenyl)-2-oxoethoxy)-8-isobutyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile (CAS 840464-54-2) is a chemical compound with molecular formula C23H25BrN2O3 and molecular weight 456.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-(4-bromophenyl)-2-oxoethoxy]-3,3-dimethyl-8-(2-methylpropyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
Also Known As: 6-(2-(4-bromophenyl)-2-oxoethoxy)-8-isobutyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile, 6-[2-(4-bromophenyl)-2-oxoethoxy]-3,3-dimethyl-8-(2-methylpropyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile, 6-[2-(4-bromophenyl)-2-oxoethoxy]-3,3-dimethyl-8-(2-methylpropyl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
| Molecular Formula | C23H25BrN2O3 |
|---|---|
| Molecular Weight | 456.10 g/mol |
| LogP | 5.02728 |
| Topological Polar Surface Area | 72.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.10486 |
| Heavy Atoms | 29 |
| Complexity | 959.5687 |
Chemical Identifiers
| CAS Number | 840464-54-2 |
|---|---|
| SMILES | CC(C)CC1=NC(=C(C2=C1COC(C2)(C)C)C#N)OCC(=O)C3=CC=C(C=C3)Br |
Product Overview
6-(2-(4-bromophenyl)-2-oxoethoxy)-8-isobutyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile (CAS 840464-54-2), with molecular formula C23H25BrN2O3 and molecular weight 456.10 g/mol. IUPAC: 6-[2-(4-bromophenyl)-2-oxoethoxy]-3,3-dimethyl-8-(2-methylpropyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
Chemical Property Profile of 6-(2-(4-bromophenyl)-2-oxoethoxy)-8-isobutyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Property Insights of 6-(2-(4-bromophenyl)-2-oxoethoxy)-8-isobutyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
The XLogP value of 5.02728 indicates that 6-(2-(4-bromophenyl)-2-oxoethoxy)-8-isobutyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(2-(4-bromophenyl)-2-oxoethoxy)-8-isobutyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile. Following Lipinski's Rule of Five, 6-(2-(4-bromophenyl)-2-oxoethoxy)-8-isobutyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-(2-(4-bromophenyl)-2-oxoethoxy)-8-isobutyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The CAS number of 6-(2-(4-bromophenyl)-2-oxoethoxy)-8-isobutyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is 840464-54-2.
What is the molecular formula of 6-(2-(4-bromophenyl)-2-oxoethoxy)-8-isobutyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The molecular formula of 6-(2-(4-bromophenyl)-2-oxoethoxy)-8-isobutyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is C23H25BrN2O3.
What is the molecular weight of 6-(2-(4-bromophenyl)-2-oxoethoxy)-8-isobutyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The molecular weight of 6-(2-(4-bromophenyl)-2-oxoethoxy)-8-isobutyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is 456.10 g/mol.
Where can I buy 6-(2-(4-bromophenyl)-2-oxoethoxy)-8-isobutyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
You can request a quote for 6-(2-(4-bromophenyl)-2-oxoethoxy)-8-isobutyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(2-(4-bromophenyl)-2-oxoethoxy)-8-isobutyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-(2-(4-bromophenyl)-2-oxoethoxy)-8-isobutyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.