4-氨基-1-萘甲腈
TL;DR: 4-氨基-1-萘甲腈 (CAS 58728-64-6) is a chemical compound with molecular formula C11H8N2 and molecular weight 168.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氨基-1-萘甲腈
4-aminonaphthalene-1-carbonitrile
Also Known As: 4-Amino-1-naphthonitrile, 4-Amino-1-naphthalenecarbonitrile, 4-Aminonaphthalene-1-carbonitrile, 1-Amino-4-cyanonaphthalene, 4-Cyano-1-naphthylamine
| Molecular Formula | C11H8N2 |
|---|---|
| Molecular Weight | 168.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.06874 |
| Heavy Atoms | 13 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 58728-64-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC=C2N)C#N |
| InChIKey | LUSIZUFVMKYWGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氨基-1-萘甲腈 (CAS 58728-64-6), with molecular formula C11H8N2 and molecular weight 168.07 g/mol. IUPAC: 4-aminonaphthalene-1-carbonitrile.
Chemical Property Profile of 4-氨基-1-萘甲腈
Property Insights of 4-氨基-1-萘甲腈
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氨基-1-萘甲腈. With a topological polar surface area (TPSA) of 49.8 Ų, 4-氨基-1-萘甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氨基-1-萘甲腈 has 1 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 4-氨基-1-萘甲腈?
The CAS number of 4-氨基-1-萘甲腈 is 58728-64-6.
What is the molecular formula of 4-氨基-1-萘甲腈?
The molecular formula of 4-氨基-1-萘甲腈 is C11H8N2.
What is the molecular weight of 4-氨基-1-萘甲腈?
The molecular weight of 4-氨基-1-萘甲腈 is 168.07 g/mol.
Where can I buy 4-氨基-1-萘甲腈?
You can request a quote for 4-氨基-1-萘甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氨基-1-萘甲腈?
Yes, KEHONG BIO provides custom synthesis services for 4-氨基-1-萘甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.