4-甲氧基苄腈N-氧化物
TL;DR: 4-甲氧基苄腈N-氧化物 (CAS 15500-73-9) is a chemical compound with molecular formula C8H7NO2 and molecular weight 149.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-甲氧基苄腈N-氧化物
4-methoxybenzonitrile oxide
Also Known As: 4-methoxybenzonitrile oxide, Benzonitrile, 4-methoxy-, N-oxide, 4-Methoxybenzonitrileoxide, Benzonitrile,4-methoxy-N-oxide, (4-methoxyphenyl)formonitrile oxide
| Molecular Formula | C8H7NO2 |
|---|---|
| Molecular Weight | 149.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 39.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 149.04768 |
| Heavy Atoms | 11 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 15500-73-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C#[N+][O-] |
| InChIKey | JNGTURZBEYGBJO-UHFFFAOYSA-N |
Product Overview
4-甲氧基苄腈N-氧化物 (CAS 15500-73-9), with molecular formula C8H7NO2 and molecular weight 149.05 g/mol. IUPAC: 4-methoxybenzonitrile oxide.
Chemical Property Profile of 4-甲氧基苄腈N-氧化物
Property Insights of 4-甲氧基苄腈N-氧化物
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-甲氧基苄腈N-氧化物. With a topological polar surface area (TPSA) of 39.9 Ų, 4-甲氧基苄腈N-氧化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-甲氧基苄腈N-氧化物 has 0 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-甲氧基苄腈N-氧化物?
The CAS number of 4-甲氧基苄腈N-氧化物 is 15500-73-9.
What is the molecular formula of 4-甲氧基苄腈N-氧化物?
The molecular formula of 4-甲氧基苄腈N-氧化物 is C8H7NO2.
What is the molecular weight of 4-甲氧基苄腈N-氧化物?
The molecular weight of 4-甲氧基苄腈N-氧化物 is 149.05 g/mol.
Where can I buy 4-甲氧基苄腈N-氧化物?
You can request a quote for 4-甲氧基苄腈N-氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲氧基苄腈N-氧化物?
Yes, KEHONG BIO provides custom synthesis services for 4-甲氧基苄腈N-氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.