戊二腈
TL;DR: 戊二腈 (CAS 544-13-8) is a chemical compound with molecular formula C5H6N2 and molecular weight 94.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
戊二腈
pentanedinitrile
Also Known As: Glutaronitrile, PENTANEDINITRILE, 1,3-Dicyanopropane, Glutarodinitrile, Glutaric acid dinitrile
| Molecular Formula | C5H6N2 |
|---|---|
| Molecular Weight | 94.05 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 94.0531 |
| Heavy Atoms | 7 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 544-13-8 |
|---|---|
| SMILES | C(CC#N)CC#N |
| InChIKey | ZTOMUSMDRMJOTH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
戊二腈 (CAS 544-13-8), with molecular formula C5H6N2 and molecular weight 94.05 g/mol. IUPAC: pentanedinitrile.
Chemical Property Profile of 戊二腈
Property Insights of 戊二腈
The XLogP value of -0.7 indicates that 戊二腈 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 47.6 Ų, 戊二腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 戊二腈 has 0 hydrogen bond donor(s) and 2 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 戊二腈?
The CAS number of 戊二腈 is 544-13-8.
What is the molecular formula of 戊二腈?
The molecular formula of 戊二腈 is C5H6N2.
What is the molecular weight of 戊二腈?
The molecular weight of 戊二腈 is 94.05 g/mol.
Where can I buy 戊二腈?
You can request a quote for 戊二腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 戊二腈?
Yes, KEHONG BIO provides custom synthesis services for 戊二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.