3-Butylisoquinoline
TL;DR: 3-Butylisoquinoline (CAS 7661-42-9) is a chemical compound with molecular formula C13H15N and molecular weight 185.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butylisoquinoline
Also Known As: 3-Butylisoquinoline, 3-n-butylisoquinoline, Isoquinoline, 3-butyl-, 3-Butylisoquinoline #
| Molecular Formula | C13H15N |
|---|---|
| Molecular Weight | 185.12 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 185.12045 |
| Heavy Atoms | 14 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 7661-42-9 |
|---|---|
| SMILES | CCCCC1=CC2=CC=CC=C2C=N1 |
| InChIKey | OKQPDIASPWSCFS-UHFFFAOYSA-N |
Product Overview
3-Butylisoquinoline (CAS 7661-42-9), with molecular formula C13H15N and molecular weight 185.12 g/mol. IUPAC: 3-butylisoquinoline.
Chemical Property Profile of 3-Butylisoquinoline
Property Insights of 3-Butylisoquinoline
The XLogP value of 4.0 indicates that 3-Butylisoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.9 Ų, 3-Butylisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butylisoquinoline 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 3-Butylisoquinoline?
The CAS number of 3-Butylisoquinoline is 7661-42-9.
What is the molecular formula of 3-Butylisoquinoline?
The molecular formula of 3-Butylisoquinoline is C13H15N.
What is the molecular weight of 3-Butylisoquinoline?
The molecular weight of 3-Butylisoquinoline is 185.12 g/mol.
Where can I buy 3-Butylisoquinoline?
You can request a quote for 3-Butylisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butylisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 3-Butylisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.