β-檀香醇
TL;DR: β-檀香醇 (CAS 77-42-9) is a chemical compound with molecular formula C10H8BrN and molecular weight 220.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
β-檀香醇
6-bromo-2-methylquinoline
Also Known As: 6-Bromo-2-methylquinoline, 6-Bromoquinaldine, 6-bromochinaldine, Quinoline, 6-bromo-2-methyl-, zlchem 926
| Molecular Formula | C10H8BrN |
|---|---|
| Molecular Weight | 220.98 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 220.98401 |
| Heavy Atoms | 12 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 77-42-9 |
|---|---|
| SMILES | CC1=NC2=C(C=C1)C=C(C=C2)Br |
| InChIKey | SQRYQSKJZVQJAY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
β-檀香醇 (CAS 77-42-9), with molecular formula C10H8BrN and molecular weight 220.98 g/mol. IUPAC: 6-bromo-2-methylquinoline.
Chemical Property Profile of β-檀香醇
Property Insights of β-檀香醇
The XLogP value of 3.3 indicates that β-檀香醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.9 Ų, β-檀香醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, β-檀香醇 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 β-檀香醇?
The CAS number of β-檀香醇 is 77-42-9.
What is the molecular formula of β-檀香醇?
The molecular formula of β-檀香醇 is C10H8BrN.
What is the molecular weight of β-檀香醇?
The molecular weight of β-檀香醇 is 220.98 g/mol.
Where can I buy β-檀香醇?
You can request a quote for β-檀香醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for β-檀香醇?
Yes, KEHONG BIO provides custom synthesis services for β-檀香醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.