3,3'-(丁烷-1,4-二基双(氧基))双丙腈
TL;DR: 3,3'-(丁烷-1,4-二基双(氧基))双丙腈 (CAS 18664-94-3) is a chemical compound with molecular formula C10H16N2O2 and molecular weight 196.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3'-(丁烷-1,4-二基双(氧基))双丙腈
3-[4-(2-cyanoethoxy)butoxy]propanenitrile
Also Known As: 4,9-dioxa-dodecanedinitrile, 1,4-Bis(2-cyanoethoxy)butane, 4,9-Dioxa-dodecandinitril, 3-[4-(2-cyanoethoxy)butoxy]propanenitrile, 1,4-Butanediol bis(2-cyanoethyl) ether
| Molecular Formula | C10H16N2O2 |
|---|---|
| Molecular Weight | 196.12 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 196.12119 |
| Heavy Atoms | 14 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 18664-94-3 |
|---|---|
| SMILES | C(CCOCCC#N)COCCC#N |
| InChIKey | RCRNVWKZQROUJM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3'-(丁烷-1,4-二基双(氧基))双丙腈 (CAS 18664-94-3), with molecular formula C10H16N2O2 and molecular weight 196.12 g/mol. IUPAC: 3-[4-(2-cyanoethoxy)butoxy]propanenitrile.
Chemical Property Profile of 3,3'-(丁烷-1,4-二基双(氧基))双丙腈
Property Insights of 3,3'-(丁烷-1,4-二基双(氧基))双丙腈
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3'-(丁烷-1,4-二基双(氧基))双丙腈. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-(丁烷-1,4-二基双(氧基))双丙腈. Following Lipinski's Rule of Five, 3,3'-(丁烷-1,4-二基双(氧基))双丙腈 has 0 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 3,3'-(丁烷-1,4-二基双(氧基))双丙腈?
The CAS number of 3,3'-(丁烷-1,4-二基双(氧基))双丙腈 is 18664-94-3.
What is the molecular formula of 3,3'-(丁烷-1,4-二基双(氧基))双丙腈?
The molecular formula of 3,3'-(丁烷-1,4-二基双(氧基))双丙腈 is C10H16N2O2.
What is the molecular weight of 3,3'-(丁烷-1,4-二基双(氧基))双丙腈?
The molecular weight of 3,3'-(丁烷-1,4-二基双(氧基))双丙腈 is 196.12 g/mol.
Where can I buy 3,3'-(丁烷-1,4-二基双(氧基))双丙腈?
You can request a quote for 3,3'-(丁烷-1,4-二基双(氧基))双丙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-(丁烷-1,4-二基双(氧基))双丙腈?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-(丁烷-1,4-二基双(氧基))双丙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.