1,2-二氢苊-4-甲腈
TL;DR: 1,2-二氢苊-4-甲腈 (CAS 83536-56-5) is a chemical compound with molecular formula C13H9N and molecular weight 179.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-二氢苊-4-甲腈
1,2-dihydroacenaphthylene-4-carbonitrile
Also Known As: acenaphthene-4-carbonitrile, 1,2-dihydroacenaphthylene-4-carbonitrile, Acenaphthylenecarbonitrile, 1,2-dihydro-, 1,2-DIHYDROACENAPHTHYLENECARBONITRILE
| Molecular Formula | C13H9N |
|---|---|
| Molecular Weight | 179.07 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 179.0735 |
| Heavy Atoms | 14 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 83536-56-5 |
|---|---|
| SMILES | C1CC2=C3C1=CC=CC3=CC(=C2)C#N |
| InChIKey | ZQJJOQCETPIZIR-UHFFFAOYSA-N |
Product Overview
1,2-二氢苊-4-甲腈 (CAS 83536-56-5), with molecular formula C13H9N and molecular weight 179.07 g/mol. IUPAC: 1,2-dihydroacenaphthylene-4-carbonitrile.
Chemical Property Profile of 1,2-二氢苊-4-甲腈
Property Insights of 1,2-二氢苊-4-甲腈
The XLogP value of 3.6 indicates that 1,2-二氢苊-4-甲腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 1,2-二氢苊-4-甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-二氢苊-4-甲腈 has 0 hydrogen bond donor(s) and 1 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 1,2-二氢苊-4-甲腈?
The CAS number of 1,2-二氢苊-4-甲腈 is 83536-56-5.
What is the molecular formula of 1,2-二氢苊-4-甲腈?
The molecular formula of 1,2-二氢苊-4-甲腈 is C13H9N.
What is the molecular weight of 1,2-二氢苊-4-甲腈?
The molecular weight of 1,2-二氢苊-4-甲腈 is 179.07 g/mol.
Where can I buy 1,2-二氢苊-4-甲腈?
You can request a quote for 1,2-二氢苊-4-甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-二氢苊-4-甲腈?
Yes, KEHONG BIO provides custom synthesis services for 1,2-二氢苊-4-甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.