4-Bromo-3-methyl-isoquinoline
TL;DR: 4-Bromo-3-methyl-isoquinoline (CAS 133100-87-5) 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.
4-bromo-3-methylisoquinoline
Also Known As: 4-bromo-3-methylisoquinoline, 4-bromo-3-methyl-isoquinoline, Isoquinoline, 4-bromo-3-methyl-, 3-methyl-4-bromo-isoquinoline, isoquinoline,4-bromo-3-methyl-
| Molecular Formula | C10H8BrN |
|---|---|
| Molecular Weight | 220.98 g/mol |
| LogP | 3.30572 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 220.98401 |
| Heavy Atoms | 12 |
| Complexity | 423.10812 |
Chemical Identifiers
| CAS Number | 133100-87-5 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2C=N1)Br |
Product Overview
4-Bromo-3-methyl-isoquinoline (CAS 133100-87-5), with molecular formula C10H8BrN and molecular weight 220.98 g/mol. IUPAC: 4-bromo-3-methylisoquinoline.
Chemical Property Profile of 4-Bromo-3-methyl-isoquinoline
Property Insights of 4-Bromo-3-methyl-isoquinoline
The XLogP value of 3.30572 indicates that 4-Bromo-3-methyl-isoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.89 Ų, 4-Bromo-3-methyl-isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-3-methyl-isoquinoline 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 4-Bromo-3-methyl-isoquinoline?
The CAS number of 4-Bromo-3-methyl-isoquinoline is 133100-87-5.
What is the molecular formula of 4-Bromo-3-methyl-isoquinoline?
The molecular formula of 4-Bromo-3-methyl-isoquinoline is C10H8BrN.
What is the molecular weight of 4-Bromo-3-methyl-isoquinoline?
The molecular weight of 4-Bromo-3-methyl-isoquinoline is 220.98 g/mol.
Where can I buy 4-Bromo-3-methyl-isoquinoline?
You can request a quote for 4-Bromo-3-methyl-isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-3-methyl-isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-3-methyl-isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.