1,3,3,5-Pentanetetracarbonitrile
TL;DR: 1,3,3,5-Pentanetetracarbonitrile (CAS 64043-92-1) is a chemical compound with molecular formula C9H8N4 and molecular weight 172.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentane-1,3,3,5-tetracarbonitrile
Also Known As: 1,3,3,5-Pentanetetracarbonitrile, pentane-1,3,3,5-tetracarbonitrile, 4,4-Dicyanoheptanedinitrile, 3,3,1,5-tetracyanopentane, 4,4-dicyano-heptanedinitrile
| Molecular Formula | C9H8N4 |
|---|---|
| Molecular Weight | 172.07 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 172.07489 |
| Heavy Atoms | 13 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 64043-92-1 |
|---|---|
| SMILES | C(CC(CCC#N)(C#N)C#N)C#N |
| InChIKey | SOUBRVXEOBMUKO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,3,5-Pentanetetracarbonitrile (CAS 64043-92-1), with molecular formula C9H8N4 and molecular weight 172.07 g/mol. IUPAC: pentane-1,3,3,5-tetracarbonitrile.
Chemical Property Profile of 1,3,3,5-Pentanetetracarbonitrile
Property Insights of 1,3,3,5-Pentanetetracarbonitrile
The XLogP value of -0.2 indicates that 1,3,3,5-Pentanetetracarbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,3,5-Pentanetetracarbonitrile. Following Lipinski's Rule of Five, 1,3,3,5-Pentanetetracarbonitrile 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 1,3,3,5-Pentanetetracarbonitrile?
The CAS number of 1,3,3,5-Pentanetetracarbonitrile is 64043-92-1.
What is the molecular formula of 1,3,3,5-Pentanetetracarbonitrile?
The molecular formula of 1,3,3,5-Pentanetetracarbonitrile is C9H8N4.
What is the molecular weight of 1,3,3,5-Pentanetetracarbonitrile?
The molecular weight of 1,3,3,5-Pentanetetracarbonitrile is 172.07 g/mol.
Where can I buy 1,3,3,5-Pentanetetracarbonitrile?
You can request a quote for 1,3,3,5-Pentanetetracarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,3,5-Pentanetetracarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1,3,3,5-Pentanetetracarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.