1-Amino-3-methylnaphthalene-2-carbonitrile
TL;DR: 1-Amino-3-methylnaphthalene-2-carbonitrile (CAS 50870-06-9) is a chemical compound with molecular formula C12H10N2 and molecular weight 182.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-3-methylnaphthalene-2-carbonitrile
Also Known As: 1-amino-3-methylnaphthalene-2-carbonitrile, 1-Amino-3-methyl-2-naphthonitrile, 1-Amino-3-methyl-2-naphthalenecarbonitrile, 1-Amino-3-methyl-naphthalene-2-carbonitrile
| Molecular Formula | C12H10N2 |
|---|---|
| Molecular Weight | 182.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 182.0844 |
| Heavy Atoms | 14 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 50870-06-9 |
|---|---|
| SMILES | CC1=CC2=CC=CC=C2C(=C1C#N)N |
| InChIKey | CQMXPKAXCGKWJV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Amino-3-methylnaphthalene-2-carbonitrile (CAS 50870-06-9), with molecular formula C12H10N2 and molecular weight 182.08 g/mol. IUPAC: 1-amino-3-methylnaphthalene-2-carbonitrile.
Chemical Property Profile of 1-Amino-3-methylnaphthalene-2-carbonitrile
Property Insights of 1-Amino-3-methylnaphthalene-2-carbonitrile
The XLogP value of 3.1 indicates that 1-Amino-3-methylnaphthalene-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-Amino-3-methylnaphthalene-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Amino-3-methylnaphthalene-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-Amino-3-methylnaphthalene-2-carbonitrile?
The CAS number of 1-Amino-3-methylnaphthalene-2-carbonitrile is 50870-06-9.
What is the molecular formula of 1-Amino-3-methylnaphthalene-2-carbonitrile?
The molecular formula of 1-Amino-3-methylnaphthalene-2-carbonitrile is C12H10N2.
What is the molecular weight of 1-Amino-3-methylnaphthalene-2-carbonitrile?
The molecular weight of 1-Amino-3-methylnaphthalene-2-carbonitrile is 182.08 g/mol.
Where can I buy 1-Amino-3-methylnaphthalene-2-carbonitrile?
You can request a quote for 1-Amino-3-methylnaphthalene-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-Amino-3-methylnaphthalene-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Amino-3-methylnaphthalene-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.