四氢异喹啉
TL;DR: 四氢异喹啉 (CAS 91-21-4) 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.
四氢异喹啉
1,2,3,4-tetrahydroisoquinoline
Also Known As: 1,2,3,4-Tetrahydroisoquinoline, Tetrahydroisoquinoline, 1,2,3,4-Tetrahydro-isoquinoline, tetrahydro-isoquinoline, tetrahydroisoquinolin
| Molecular Formula | C9H11N |
|---|---|
| Molecular Weight | 133.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 133.08914 |
| Heavy Atoms | 10 |
| Complexity | 111.0 |
| Melting Point | < -15 °C |
Chemical Identifiers
| CAS Number | 91-21-4 |
|---|---|
| SMILES | C1CNCC2=CC=CC=C21 |
| InChIKey | UWYZHKAOTLEWKK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
四氢异喹啉 (CAS 91-21-4), with molecular formula C9H11N and molecular weight 133.09 g/mol. IUPAC: 1,2,3,4-tetrahydroisoquinoline.
Chemical Property Profile of 四氢异喹啉
Property Insights of 四氢异喹啉
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 四氢异喹啉. With a topological polar surface area (TPSA) of 12.0 Ų, 四氢异喹啉 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 四氢异喹啉 has 1 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 四氢异喹啉?
The CAS number of 四氢异喹啉 is 91-21-4.
What is the molecular formula of 四氢异喹啉?
The molecular formula of 四氢异喹啉 is C9H11N.
What is the molecular weight of 四氢异喹啉?
The molecular weight of 四氢异喹啉 is 133.09 g/mol.
Where can I buy 四氢异喹啉?
You can request a quote for 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 四氢异喹啉?
Yes, KEHONG BIO provides custom synthesis services for 四氢异喹啉 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.