beta-Nitrovinylnaphthalene
TL;DR: beta-Nitrovinylnaphthalene (CAS 37629-37-1) is a chemical compound with molecular formula C12H9NO2 and molecular weight 199.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-nitroethenyl)naphthalene
Also Known As: beta-nitrovinylnaphthalene, 2-(2-nitroethenyl)naphthalene, 2-(2-nitro-vinyl)-naphthalene, 2-[(E)-2-nitroethenyl]naphthalene, Naphthalene, 2-(2-nitrovinyl)-
| Molecular Formula | C12H9NO2 |
|---|---|
| Molecular Weight | 199.06 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 199.06332 |
| Heavy Atoms | 15 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 37629-37-1 |
|---|---|
| SMILES | C1=CC=C2C=C(C=CC2=C1)C=C[N+](=O)[O-] |
| InChIKey | FSQRAMKGHLSZCT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
beta-Nitrovinylnaphthalene (CAS 37629-37-1), with molecular formula C12H9NO2 and molecular weight 199.06 g/mol. IUPAC: 2-(2-nitroethenyl)naphthalene.
Chemical Property Profile of beta-Nitrovinylnaphthalene
Property Insights of beta-Nitrovinylnaphthalene
The XLogP value of 3.8 indicates that beta-Nitrovinylnaphthalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, beta-Nitrovinylnaphthalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Nitrovinylnaphthalene 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 beta-Nitrovinylnaphthalene?
The CAS number of beta-Nitrovinylnaphthalene is 37629-37-1.
What is the molecular formula of beta-Nitrovinylnaphthalene?
The molecular formula of beta-Nitrovinylnaphthalene is C12H9NO2.
What is the molecular weight of beta-Nitrovinylnaphthalene?
The molecular weight of beta-Nitrovinylnaphthalene is 199.06 g/mol.
Where can I buy beta-Nitrovinylnaphthalene?
You can request a quote for beta-Nitrovinylnaphthalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Nitrovinylnaphthalene?
Yes, KEHONG BIO provides custom synthesis services for beta-Nitrovinylnaphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.