RefChem:336271
TL;DR: RefChem:336271 (CAS 79616-20-9) is a chemical compound with molecular formula C26H30N2O4 and molecular weight 434.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dimethylpropoxyiminomethyl)-2,2-dimethylcyclopropane-1-carboxylate
Also Known As: SD 58231, Cyclopropanecarboxylic acid, 3-(((2,2-dimethylpropoxy)imino)methyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester, [Cyano-[3-(phenoxy)phenyl]methyl]3-(2,2-dimethylpropoxyiminomethyl)-2,2-dimethylcyclopropane-1-carboxylate, Cyclopropanecarboxylic acid, 3-[[(2,2-dimethylpropoxy)imino]methyl]-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester, [cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dimethylpropoxyiminomethyl)-2,2-dimethylcyclopropane-1-carboxylate
| Molecular Formula | C26H30N2O4 |
|---|---|
| Molecular Weight | 434.22 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 434.22055 |
| Heavy Atoms | 32 |
| Complexity | 711.0 |
Chemical Identifiers
| CAS Number | 79616-20-9 |
|---|---|
| SMILES | CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=NOCC(C)(C)C)C |
| InChIKey | CFDLLXHQMCSMQV-UHFFFAOYSA-N |
Product Overview
RefChem:336271 (CAS 79616-20-9), with molecular formula C26H30N2O4 and molecular weight 434.22 g/mol. IUPAC: [cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dimethylpropoxyiminomethyl)-2,2-dimethylcyclopropane-1-carboxylate.
Chemical Property Profile of RefChem:336271
Property Insights of RefChem:336271
The XLogP value of 6.3 indicates that RefChem:336271 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:336271. Following Lipinski's Rule of Five, RefChem:336271 has 0 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 RefChem:336271?
The CAS number of RefChem:336271 is 79616-20-9.
What is the molecular formula of RefChem:336271?
The molecular formula of RefChem:336271 is C26H30N2O4.
What is the molecular weight of RefChem:336271?
The molecular weight of RefChem:336271 is 434.22 g/mol.
Where can I buy RefChem:336271?
You can request a quote for RefChem:336271 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:336271?
Yes, KEHONG BIO provides custom synthesis services for RefChem:336271 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.