5-苊烯甲腈
TL;DR: 5-苊烯甲腈 (CAS 71653-49-1) is a chemical compound with molecular formula C13H7N and molecular weight 177.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-苊烯甲腈
acenaphthylene-5-carbonitrile
Also Known As: 5-Acenaphthylenecarbonitrile, acenaphthylene-5-carbonitrile, RefChem:300779
| Molecular Formula | C13H7N |
|---|---|
| Molecular Weight | 177.06 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.05785 |
| Heavy Atoms | 14 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 71653-49-1 |
|---|---|
| SMILES | C1=CC2=C3C(=CC=C(C3=C1)C#N)C=C2 |
| InChIKey | YCWHUWSMNBWSOM-UHFFFAOYSA-N |
Product Overview
5-苊烯甲腈 (CAS 71653-49-1), with molecular formula C13H7N and molecular weight 177.06 g/mol. IUPAC: acenaphthylene-5-carbonitrile.
Chemical Property Profile of 5-苊烯甲腈
Property Insights of 5-苊烯甲腈
The XLogP value of 3.4 indicates that 5-苊烯甲腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 5-苊烯甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-苊烯甲腈 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 5-苊烯甲腈?
The CAS number of 5-苊烯甲腈 is 71653-49-1.
What is the molecular formula of 5-苊烯甲腈?
The molecular formula of 5-苊烯甲腈 is C13H7N.
What is the molecular weight of 5-苊烯甲腈?
The molecular weight of 5-苊烯甲腈 is 177.06 g/mol.
Where can I buy 5-苊烯甲腈?
You can request a quote for 5-苊烯甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-苊烯甲腈?
Yes, KEHONG BIO provides custom synthesis services for 5-苊烯甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.