2-(1-溴萘-2-基)乙腈
TL;DR: 2-(1-溴萘-2-基)乙腈 (CAS 70460-32-1) is a chemical compound with molecular formula C12H8BrN and molecular weight 244.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-溴萘-2-基)乙腈
2-(1-bromonaphthalen-2-yl)acetonitrile
Also Known As: 2-(1-bromonaphthalen-2-yl)acetonitrile, 1-Bromonaphthalene-2-acetonitrile, (1-bromonaphthalen-2-yl)acetonitrile, 1-bromo-2-naphthylacetonitrile, 1-bromo-2-cyanomethylnaphthalene
| Molecular Formula | C12H8BrN |
|---|---|
| Molecular Weight | 244.98 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.98401 |
| Heavy Atoms | 14 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 70460-32-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC(=C2Br)CC#N |
| InChIKey | RHQQHKIKBBTRBT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(1-溴萘-2-基)乙腈 (CAS 70460-32-1), with molecular formula C12H8BrN and molecular weight 244.98 g/mol. IUPAC: 2-(1-bromonaphthalen-2-yl)acetonitrile.
Chemical Property Profile of 2-(1-溴萘-2-基)乙腈
Property Insights of 2-(1-溴萘-2-基)乙腈
The XLogP value of 3.5 indicates that 2-(1-溴萘-2-基)乙腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 2-(1-溴萘-2-基)乙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-溴萘-2-基)乙腈 has 0 hydrogen bond donor(s) and 1 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 2-(1-溴萘-2-基)乙腈?
The CAS number of 2-(1-溴萘-2-基)乙腈 is 70460-32-1.
What is the molecular formula of 2-(1-溴萘-2-基)乙腈?
The molecular formula of 2-(1-溴萘-2-基)乙腈 is C12H8BrN.
What is the molecular weight of 2-(1-溴萘-2-基)乙腈?
The molecular weight of 2-(1-溴萘-2-基)乙腈 is 244.98 g/mol.
Where can I buy 2-(1-溴萘-2-基)乙腈?
You can request a quote for 2-(1-溴萘-2-基)乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-溴萘-2-基)乙腈?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-溴萘-2-基)乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.