![3-[4,8,11-Tris(2-cyanoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propanenitrile structure](/static/products/7626/76261-54-6.webp)
3-[4,8,11-Tris(2-cyanoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propanenitrile
TL;DR: 3-[4,8,11-Tris(2-cyanoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propanenitrile (CAS 76261-54-6) is a chemical compound with molecular formula C22H36N8 and molecular weight 412.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4,8,11-tris(2-cyanoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propanenitrile
Also Known As: 3-[4,8,11-tris(2-cyanoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propanenitrile, 1,4,8,11-Tetraazacyclotetradecane-1,4,8,11-tetrapropanenitrile, J3.126.382D, BRD-K40612942-001-07-5, 1,4,8,11-Tetrakis(2-cyanoethyl)-1,4,8,11-tetraazacyclotetradecane
| Molecular Formula | C22H36N8 |
|---|---|
| Molecular Weight | 412.31 g/mol |
| LogP | 1.64292 |
| Topological Polar Surface Area | 108.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 412.3063 |
| Heavy Atoms | 30 |
| Complexity | 502.58798 |
Chemical Identifiers
| CAS Number | 76261-54-6 |
|---|---|
| SMILES | C1CN(CCN(CCCN(CCN(C1)CCC#N)CCC#N)CCC#N)CCC#N |
Product Overview
3-[4,8,11-Tris(2-cyanoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propanenitrile (CAS 76261-54-6), with molecular formula C22H36N8 and molecular weight 412.31 g/mol. IUPAC: 3-[4,8,11-tris(2-cyanoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propanenitrile.
Chemical Property Profile of 3-[4,8,11-Tris(2-cyanoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propanenitrile
Property Insights of 3-[4,8,11-Tris(2-cyanoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propanenitrile
The XLogP value of 1.64292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[4,8,11-Tris(2-cyanoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propanenitrile. The TPSA of 108.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4,8,11-Tris(2-cyanoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propanenitrile. Following Lipinski's Rule of Five, 3-[4,8,11-Tris(2-cyanoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propanenitrile has 0 hydrogen bond donor(s) and 8 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-[4,8,11-Tris(2-cyanoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propanenitrile?
The CAS number of 3-[4,8,11-Tris(2-cyanoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propanenitrile is 76261-54-6.
What is the molecular formula of 3-[4,8,11-Tris(2-cyanoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propanenitrile?
The molecular formula of 3-[4,8,11-Tris(2-cyanoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propanenitrile is C22H36N8.
What is the molecular weight of 3-[4,8,11-Tris(2-cyanoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propanenitrile?
The molecular weight of 3-[4,8,11-Tris(2-cyanoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propanenitrile is 412.31 g/mol.
Where can I buy 3-[4,8,11-Tris(2-cyanoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propanenitrile?
You can request a quote for 3-[4,8,11-Tris(2-cyanoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4,8,11-Tris(2-cyanoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[4,8,11-Tris(2-cyanoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.