THPV HBr
TL;DR: THPV HBr (CAS 16659-88-4) is a chemical compound with molecular formula C16H18BrNO4 and molecular weight 367.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol bromide
Also Known As: THPV HBr, Tetrahydropapaveroline bromide, Norlaudanosoline hydrobromide, 1,2,3,4-Tetrahydropapaveroline HBr, Tetrahydropapaveroline hydrobromide
| Molecular Formula | C16H18BrNO4 |
|---|---|
| Molecular Weight | 367.04 g/mol |
| LogP | -2.08 |
| Topological Polar Surface Area | 97.5 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 367.04193 |
| Heavy Atoms | 22 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 16659-88-4 |
|---|---|
| SMILES | C1C[NH2+]C(C2=CC(=C(C=C21)O)O)CC3=CC(=C(C=C3)O)O.[Br-] |
| InChIKey | WAADYLVPNMRUKN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
THPV HBr (CAS 16659-88-4), with molecular formula C16H18BrNO4 and molecular weight 367.04 g/mol. IUPAC: 1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol bromide.
Chemical Property Profile of THPV HBr
Property Insights of THPV HBr
The XLogP value of -2.08 indicates that THPV HBr is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 97.5 Ų falls within the moderate polarity range, balancing permeability and solubility for THPV HBr. Following Lipinski's Rule of Five, THPV HBr has 5 hydrogen bond donor(s) and 5 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 THPV HBr?
The CAS number of THPV HBr is 16659-88-4.
What is the molecular formula of THPV HBr?
The molecular formula of THPV HBr is C16H18BrNO4.
What is the molecular weight of THPV HBr?
The molecular weight of THPV HBr is 367.04 g/mol.
Where can I buy THPV HBr?
You can request a quote for THPV HBr directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for THPV HBr?
Yes, KEHONG BIO provides custom synthesis services for THPV HBr and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.