5,6,7,8-四氢异喹啉
TL;DR: 5,6,7,8-四氢异喹啉 (CAS 36556-06-6) is a chemical compound with molecular formula C9H11N and molecular weight 133.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6,7,8-四氢异喹啉
5,6,7,8-tetrahydroisoquinoline
Also Known As: 5,6,7,8-Tetrahydroisoquinoline, 5,6,7,8-Tetrahydro-isoquinoline, 2-Chloroethylmethanesulfonate, Isoquinoline, 5,6,7,8-tetrahydro-, 5,6,7,8-Tetrahydroquinoline
| Molecular Formula | C9H11N |
|---|---|
| Molecular Weight | 133.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 133.08914 |
| Heavy Atoms | 10 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 36556-06-6 |
|---|---|
| SMILES | C1CCC2=C(C1)C=CN=C2 |
| InChIKey | HTMGQIXFZMZZKD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,6,7,8-四氢异喹啉 (CAS 36556-06-6), with molecular formula C9H11N and molecular weight 133.09 g/mol. IUPAC: 5,6,7,8-tetrahydroisoquinoline.
Chemical Property Profile of 5,6,7,8-四氢异喹啉
Property Insights of 5,6,7,8-四氢异喹啉
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6,7,8-四氢异喹啉. With a topological polar surface area (TPSA) of 12.9 Ų, 5,6,7,8-四氢异喹啉 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6,7,8-四氢异喹啉 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 5,6,7,8-四氢异喹啉?
The CAS number of 5,6,7,8-四氢异喹啉 is 36556-06-6.
What is the molecular formula of 5,6,7,8-四氢异喹啉?
The molecular formula of 5,6,7,8-四氢异喹啉 is C9H11N.
What is the molecular weight of 5,6,7,8-四氢异喹啉?
The molecular weight of 5,6,7,8-四氢异喹啉 is 133.09 g/mol.
Where can I buy 5,6,7,8-四氢异喹啉?
You can request a quote for 5,6,7,8-四氢异喹啉 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6,7,8-四氢异喹啉?
Yes, KEHONG BIO provides custom synthesis services for 5,6,7,8-四氢异喹啉 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.