1,2-Dibromo-2,4-dicyanobutane-2-phenoxyethanol mixt.
TL;DR: 1,2-Dibromo-2,4-dicyanobutane-2-phenoxyethanol mixt. (CAS 98668-04-3) is a chemical compound with molecular formula C14H16Br2N2O2 and molecular weight 401.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-2-(bromomethyl)pentanedinitrile;2-phenoxyethanol
Also Known As: Euxyl K 400, 2-bromo-2-(bromomethyl)pentanedinitrile- 2-phenoxyethanol(1:1), 1,2-Dibromo-2,4-dicyanobutane-2-phenoxyethanol mixt., 2-Bromo-2-(bromomethyl)pentanedinitrile, mixt. with 2-phenoxyethanol, 2-bromo-2-(bromomethyl)pentanedinitrile; 2-phenoxyethanol
| Molecular Formula | C14H16Br2N2O2 |
|---|---|
| Molecular Weight | 401.96 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 77.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.9558 |
| Heavy Atoms | 20 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 98668-04-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCCO.C(CC(CBr)(C#N)Br)C#N |
| InChIKey | DHLSOGBIZXWCMS-UHFFFAOYSA-N |
Product Overview
1,2-Dibromo-2,4-dicyanobutane-2-phenoxyethanol mixt. (CAS 98668-04-3), with molecular formula C14H16Br2N2O2 and molecular weight 401.96 g/mol. IUPAC: 2-bromo-2-(bromomethyl)pentanedinitrile;2-phenoxyethanol.
Chemical Property Profile of 1,2-Dibromo-2,4-dicyanobutane-2-phenoxyethanol mixt.
Property Insights of 1,2-Dibromo-2,4-dicyanobutane-2-phenoxyethanol mixt.
The XLogP value of 3.4 indicates that 1,2-Dibromo-2,4-dicyanobutane-2-phenoxyethanol mixt. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Dibromo-2,4-dicyanobutane-2-phenoxyethanol mixt.. Following Lipinski's Rule of Five, 1,2-Dibromo-2,4-dicyanobutane-2-phenoxyethanol mixt. has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2-Dibromo-2,4-dicyanobutane-2-phenoxyethanol mixt.?
The CAS number of 1,2-Dibromo-2,4-dicyanobutane-2-phenoxyethanol mixt. is 98668-04-3.
What is the molecular formula of 1,2-Dibromo-2,4-dicyanobutane-2-phenoxyethanol mixt.?
The molecular formula of 1,2-Dibromo-2,4-dicyanobutane-2-phenoxyethanol mixt. is C14H16Br2N2O2.
What is the molecular weight of 1,2-Dibromo-2,4-dicyanobutane-2-phenoxyethanol mixt.?
The molecular weight of 1,2-Dibromo-2,4-dicyanobutane-2-phenoxyethanol mixt. is 401.96 g/mol.
Where can I buy 1,2-Dibromo-2,4-dicyanobutane-2-phenoxyethanol mixt.?
You can request a quote for 1,2-Dibromo-2,4-dicyanobutane-2-phenoxyethanol mixt. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dibromo-2,4-dicyanobutane-2-phenoxyethanol mixt.?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dibromo-2,4-dicyanobutane-2-phenoxyethanol mixt. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.