4-(2-Cyanoethyl)-4-formylheptanedinitrile
TL;DR: 4-(2-Cyanoethyl)-4-formylheptanedinitrile (CAS 36394-40-8) is a chemical compound with molecular formula C11H13N3O and molecular weight 203.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-cyanoethyl)-4-formylheptanedinitrile
Also Known As: 4-(2-Cyanoethyl)-4-formylheptanedinitrile, 2,2-Bis(2-cyanoethyl)-4-cyanobutanal, 4-Cyano-2,2-bis(2-cyanoethyl)butanal, NCI60_028486, 4-(2-cyanoethyl)-4-formyl-heptanedinitrile
| Molecular Formula | C11H13N3O |
|---|---|
| Molecular Weight | 203.11 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 88.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 203.10587 |
| Heavy Atoms | 15 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 36394-40-8 |
|---|---|
| SMILES | C(CC(CCC#N)(CCC#N)C=O)C#N |
| InChIKey | RXSREDSJLRURFJ-UHFFFAOYSA-N |
Product Overview
4-(2-Cyanoethyl)-4-formylheptanedinitrile (CAS 36394-40-8), with molecular formula C11H13N3O and molecular weight 203.11 g/mol. IUPAC: 4-(2-cyanoethyl)-4-formylheptanedinitrile.
Chemical Property Profile of 4-(2-Cyanoethyl)-4-formylheptanedinitrile
Property Insights of 4-(2-Cyanoethyl)-4-formylheptanedinitrile
The XLogP value of -0.3 indicates that 4-(2-Cyanoethyl)-4-formylheptanedinitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Cyanoethyl)-4-formylheptanedinitrile. Following Lipinski's Rule of Five, 4-(2-Cyanoethyl)-4-formylheptanedinitrile 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 4-(2-Cyanoethyl)-4-formylheptanedinitrile?
The CAS number of 4-(2-Cyanoethyl)-4-formylheptanedinitrile is 36394-40-8.
What is the molecular formula of 4-(2-Cyanoethyl)-4-formylheptanedinitrile?
The molecular formula of 4-(2-Cyanoethyl)-4-formylheptanedinitrile is C11H13N3O.
What is the molecular weight of 4-(2-Cyanoethyl)-4-formylheptanedinitrile?
The molecular weight of 4-(2-Cyanoethyl)-4-formylheptanedinitrile is 203.11 g/mol.
Where can I buy 4-(2-Cyanoethyl)-4-formylheptanedinitrile?
You can request a quote for 4-(2-Cyanoethyl)-4-formylheptanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Cyanoethyl)-4-formylheptanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Cyanoethyl)-4-formylheptanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.