1-(Bromomethyl)-4-chloronaphthalene
TL;DR: 1-(Bromomethyl)-4-chloronaphthalene (CAS 79996-98-8) is a chemical compound with molecular formula C11H8BrCl and molecular weight 253.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(bromomethyl)-4-chloronaphthalene
Also Known As: 1-(bromomethyl)-4-chloronaphthalene, 4-(bromomethyl)-1-chloro-naphthalene, 1-bromomethyl-4-chloronaphthalene, 4-chloro-1-bromomethylnaphthalene, 1-(bromomethyl)-4-chloro-naphthalene
| Molecular Formula | C11H8BrCl |
|---|---|
| Molecular Weight | 253.95 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 253.94978 |
| Heavy Atoms | 13 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 79996-98-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC=C2Cl)CBr |
| InChIKey | DJFAAOZRYCRATC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Bromomethyl)-4-chloronaphthalene (CAS 79996-98-8), with molecular formula C11H8BrCl and molecular weight 253.95 g/mol. IUPAC: 1-(bromomethyl)-4-chloronaphthalene.
Chemical Property Profile of 1-(Bromomethyl)-4-chloronaphthalene
Property Insights of 1-(Bromomethyl)-4-chloronaphthalene
The XLogP value of 4.4 indicates that 1-(Bromomethyl)-4-chloronaphthalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-(Bromomethyl)-4-chloronaphthalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Bromomethyl)-4-chloronaphthalene has 0 hydrogen bond donor(s) and 0 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-(Bromomethyl)-4-chloronaphthalene?
The CAS number of 1-(Bromomethyl)-4-chloronaphthalene is 79996-98-8.
What is the molecular formula of 1-(Bromomethyl)-4-chloronaphthalene?
The molecular formula of 1-(Bromomethyl)-4-chloronaphthalene is C11H8BrCl.
What is the molecular weight of 1-(Bromomethyl)-4-chloronaphthalene?
The molecular weight of 1-(Bromomethyl)-4-chloronaphthalene is 253.95 g/mol.
Where can I buy 1-(Bromomethyl)-4-chloronaphthalene?
You can request a quote for 1-(Bromomethyl)-4-chloronaphthalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Bromomethyl)-4-chloronaphthalene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Bromomethyl)-4-chloronaphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.