![1-aminospiro[4H-naphthalene-3,1'-cyclohexane]-2-carbonitrile structure](/static/products/127/127025-65-4.png)
1-aminospiro[4H-naphthalene-3,1'-cyclohexane]-2-carbonitrile
TL;DR: 1-aminospiro[4H-naphthalene-3,1'-cyclohexane]-2-carbonitrile (CAS 127025-65-4) is a chemical compound with molecular formula C16H18N2 and molecular weight 238.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-aminospiro[4H-naphthalene-3,1'-cyclohexane]-2-carbonitrile
Also Known As: BAS 00608709, 4'-amino-1'H-spiro[cyclohexane-1,2'-naphthalene]-3'-carbonitrile, 1-aminospiro[4H-naphthalene-3,1'-cyclohexane]-2-carbonitrile, AE-848/31946011, 1-amino-2-cyano-3,4-dihydrospiro[naphthalene-3,1'-cyclohexane]
| Molecular Formula | C16H18N2 |
|---|---|
| Molecular Weight | 238.15 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 238.147 |
| Heavy Atoms | 18 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 127025-65-4 |
|---|---|
| SMILES | C1CCC2(CC1)CC3=CC=CC=C3C(=C2C#N)N |
| InChIKey | BQFBUBHGZRINAO-UHFFFAOYSA-N |
Product Overview
1-aminospiro[4H-naphthalene-3,1'-cyclohexane]-2-carbonitrile (CAS 127025-65-4), with molecular formula C16H18N2 and molecular weight 238.15 g/mol. IUPAC: 1-aminospiro[4H-naphthalene-3,1'-cyclohexane]-2-carbonitrile.
Chemical Property Profile of 1-aminospiro[4H-naphthalene-3,1'-cyclohexane]-2-carbonitrile
Property Insights of 1-aminospiro[4H-naphthalene-3,1'-cyclohexane]-2-carbonitrile
The XLogP value of 4.3 indicates that 1-aminospiro[4H-naphthalene-3,1'-cyclohexane]-2-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, 1-aminospiro[4H-naphthalene-3,1'-cyclohexane]-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-aminospiro[4H-naphthalene-3,1'-cyclohexane]-2-carbonitrile 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 1-aminospiro[4H-naphthalene-3,1'-cyclohexane]-2-carbonitrile?
The CAS number of 1-aminospiro[4H-naphthalene-3,1'-cyclohexane]-2-carbonitrile is 127025-65-4.
What is the molecular formula of 1-aminospiro[4H-naphthalene-3,1'-cyclohexane]-2-carbonitrile?
The molecular formula of 1-aminospiro[4H-naphthalene-3,1'-cyclohexane]-2-carbonitrile is C16H18N2.
What is the molecular weight of 1-aminospiro[4H-naphthalene-3,1'-cyclohexane]-2-carbonitrile?
The molecular weight of 1-aminospiro[4H-naphthalene-3,1'-cyclohexane]-2-carbonitrile is 238.15 g/mol.
Where can I buy 1-aminospiro[4H-naphthalene-3,1'-cyclohexane]-2-carbonitrile?
You can request a quote for 1-aminospiro[4H-naphthalene-3,1'-cyclohexane]-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-aminospiro[4H-naphthalene-3,1'-cyclohexane]-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-aminospiro[4H-naphthalene-3,1'-cyclohexane]-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.