4-Amino-2-methoxybenzonitrile
TL;DR: 4-Amino-2-methoxybenzonitrile (CAS 7251-15-2) is a chemical compound with molecular formula C8H8N2O and molecular weight 148.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-2-methoxybenzonitrile
Also Known As: 4-amino-2-methoxybenzonitrile, 4-Cyano-3-methoxyaniline, 4-Amino-2-methoxy-benzonitrile, 5-Amino-2-cyanoanisole, 3-methoxy-4-cyanoaniline
| Molecular Formula | C8H8N2O |
|---|---|
| Molecular Weight | 148.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 148.06366 |
| Heavy Atoms | 11 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 7251-15-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)N)C#N |
| InChIKey | KTDRJLRJAHBQDQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Amino-2-methoxybenzonitrile (CAS 7251-15-2), with molecular formula C8H8N2O and molecular weight 148.06 g/mol. IUPAC: 4-amino-2-methoxybenzonitrile.
Chemical Property Profile of 4-Amino-2-methoxybenzonitrile
Property Insights of 4-Amino-2-methoxybenzonitrile
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-2-methoxybenzonitrile. With a topological polar surface area (TPSA) of 59.0 Ų, 4-Amino-2-methoxybenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Amino-2-methoxybenzonitrile has 1 hydrogen bond donor(s) and 3 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-Amino-2-methoxybenzonitrile?
The CAS number of 4-Amino-2-methoxybenzonitrile is 7251-15-2.
What is the molecular formula of 4-Amino-2-methoxybenzonitrile?
The molecular formula of 4-Amino-2-methoxybenzonitrile is C8H8N2O.
What is the molecular weight of 4-Amino-2-methoxybenzonitrile?
The molecular weight of 4-Amino-2-methoxybenzonitrile is 148.06 g/mol.
Where can I buy 4-Amino-2-methoxybenzonitrile?
You can request a quote for 4-Amino-2-methoxybenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-2-methoxybenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-2-methoxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.