1,3,5-戊三甲腈
TL;DR: 1,3,5-戊三甲腈 (CAS 79173-62-9) is a chemical compound with molecular formula C8H9N3 and molecular weight 147.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-戊三甲腈
pentane-1,3,5-tricarbonitrile
Also Known As: 1,3,5-Pentanetricarbonitrile, pentane-1,3,5-tricarbonitrile, 1,3,5-Tricyanopentane, 4-Cyanoheptanedinitrile, 1,5-Pentanetricarbonitrile
| Molecular Formula | C8H9N3 |
|---|---|
| Molecular Weight | 147.08 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 147.07965 |
| Heavy Atoms | 11 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 79173-62-9 |
|---|---|
| SMILES | C(CC(CCC#N)C#N)C#N |
| InChIKey | RXIMZKYZCDNHPG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,5-戊三甲腈 (CAS 79173-62-9), with molecular formula C8H9N3 and molecular weight 147.08 g/mol. IUPAC: pentane-1,3,5-tricarbonitrile.
Chemical Property Profile of 1,3,5-戊三甲腈
Property Insights of 1,3,5-戊三甲腈
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,5-戊三甲腈. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,5-戊三甲腈. Following Lipinski's Rule of Five, 1,3,5-戊三甲腈 has 0 hydrogen bond donor(s) and 3 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 1,3,5-戊三甲腈?
The CAS number of 1,3,5-戊三甲腈 is 79173-62-9.
What is the molecular formula of 1,3,5-戊三甲腈?
The molecular formula of 1,3,5-戊三甲腈 is C8H9N3.
What is the molecular weight of 1,3,5-戊三甲腈?
The molecular weight of 1,3,5-戊三甲腈 is 147.08 g/mol.
Where can I buy 1,3,5-戊三甲腈?
You can request a quote for 1,3,5-戊三甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,5-戊三甲腈?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-戊三甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.