THP hydrochloride
TL;DR: THP hydrochloride (CAS 3184-36-9) is a chemical compound with molecular formula C16H18ClNO4 and molecular weight 323.09 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 chloride
Also Known As: THP hydrochloride, Tetrahydropapaveroline, hydrochloride, Tetrahydropapaveroline hydrochloride, 1-((3,4-Dihydroxyphenyl)methyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride, 1-Benzyl-3',4',6,7-tetrahydroxy-1,2,3,4-tetrahydroisoquinoline, hydrochloride
| Molecular Formula | C16H18ClNO4 |
|---|---|
| Molecular Weight | 323.09 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 | 323.09244 |
| Heavy Atoms | 22 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 3184-36-9 |
|---|---|
| SMILES | C1C[NH2+]C(C2=CC(=C(C=C21)O)O)CC3=CC(=C(C=C3)O)O.[Cl-] |
| InChIKey | WSIHAFYVFLJCQH-UHFFFAOYSA-N |
Product Overview
THP hydrochloride (CAS 3184-36-9), with molecular formula C16H18ClNO4 and molecular weight 323.09 g/mol. IUPAC: 1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol chloride.
Chemical Property Profile of THP hydrochloride
Property Insights of THP hydrochloride
The XLogP value of -2.08 indicates that THP hydrochloride 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 THP hydrochloride. Following Lipinski's Rule of Five, THP hydrochloride 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 THP hydrochloride?
The CAS number of THP hydrochloride is 3184-36-9.
What is the molecular formula of THP hydrochloride?
The molecular formula of THP hydrochloride is C16H18ClNO4.
What is the molecular weight of THP hydrochloride?
The molecular weight of THP hydrochloride is 323.09 g/mol.
Where can I buy THP hydrochloride?
You can request a quote for THP hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for THP hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for THP hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.