7-Methylisoquinoline
TL;DR: 7-Methylisoquinoline (CAS 54004-38-5) is a chemical compound with molecular formula C10H9N and molecular weight 143.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methylisoquinoline
Also Known As: 7-Methylisoquinoline, Isoquinoline, 7-methyl-, 7-Methyl-isoquinoline, 7-methyl isoquinoline, 7-Methylisoquinoline #
| Molecular Formula | C10H9N |
|---|---|
| Molecular Weight | 143.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 143.0735 |
| Heavy Atoms | 11 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 54004-38-5 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C=CN=C2 |
| InChIKey | GYVUMHXXXAATFQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Methylisoquinoline (CAS 54004-38-5), with molecular formula C10H9N and molecular weight 143.07 g/mol. IUPAC: 7-methylisoquinoline.
Chemical Property Profile of 7-Methylisoquinoline
Property Insights of 7-Methylisoquinoline
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Methylisoquinoline. With a topological polar surface area (TPSA) of 12.9 Ų, 7-Methylisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Methylisoquinoline 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 7-Methylisoquinoline?
The CAS number of 7-Methylisoquinoline is 54004-38-5.
What is the molecular formula of 7-Methylisoquinoline?
The molecular formula of 7-Methylisoquinoline is C10H9N.
What is the molecular weight of 7-Methylisoquinoline?
The molecular weight of 7-Methylisoquinoline is 143.07 g/mol.
Where can I buy 7-Methylisoquinoline?
You can request a quote for 7-Methylisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Methylisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 7-Methylisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.