7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline hydrochloride
TL;DR: 7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline hydrochloride (CAS 57987-77-6) is a chemical compound with molecular formula C9H10Cl3N and molecular weight 236.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,8-dichloro-1,2,3,4-tetrahydroisoquinoline;hydrochloride
Also Known As: 7,8-dichloro-1,2,3,4-tetrahydroisoquinoline hydrochloride, 7,8-Dichloro-1,2,3,4-tetrahydroisoquinolinium chloride, 7,8-dichloro-1,2,3,4-tetrahydroisoquinoline, 7,8-dichloro-1,2,3,4-tetrahydroisoquinoline;hydrochloride, 7,8-dichlorotetrahydroisoquinoline hydrochloride
| Molecular Formula | C9H10Cl3N |
|---|---|
| Molecular Weight | 236.99 g/mol |
| LogP | 3.0609 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 236.98788 |
| Heavy Atoms | 13 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 57987-77-6 |
|---|---|
| SMILES | C1CNCC2=C1C=CC(=C2Cl)Cl.Cl |
| InChIKey | MPGYNUDLCXDURR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline hydrochloride (CAS 57987-77-6), with molecular formula C9H10Cl3N and molecular weight 236.99 g/mol. IUPAC: 7,8-dichloro-1,2,3,4-tetrahydroisoquinoline;hydrochloride.
Chemical Property Profile of 7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline hydrochloride
Property Insights of 7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline hydrochloride
The XLogP value of 3.0609 indicates that 7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, 7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline hydrochloride has 2 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 7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline hydrochloride?
The CAS number of 7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline hydrochloride is 57987-77-6.
What is the molecular formula of 7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline hydrochloride?
The molecular formula of 7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline hydrochloride is C9H10Cl3N.
What is the molecular weight of 7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline hydrochloride?
The molecular weight of 7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline hydrochloride is 236.99 g/mol.
Where can I buy 7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline hydrochloride?
You can request a quote for 7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.