(+-)-Tetrahydroharmine
TL;DR: (+-)-Tetrahydroharmine (CAS 5444-55-3) is a chemical compound with molecular formula C13H16N2O and molecular weight 216.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methoxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Also Known As: Tetrahydroharmine, Leptaflorine, Leptafluorine, (+/-)-tetrahydroharmine, 1,2,3,4-Tetrahydroharmine
| Molecular Formula | C13H16N2O |
|---|---|
| Molecular Weight | 216.13 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 37.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.12627 |
| Heavy Atoms | 16 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 5444-55-3 |
|---|---|
| SMILES | CC1C2=C(CCN1)C3=C(N2)C=C(C=C3)OC |
| InChIKey | ZXLDQJLIBNPEFJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(+-)-Tetrahydroharmine (CAS 5444-55-3), with molecular formula C13H16N2O and molecular weight 216.13 g/mol. IUPAC: 7-methoxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole.
Chemical Property Profile of (+-)-Tetrahydroharmine
Property Insights of (+-)-Tetrahydroharmine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (+-)-Tetrahydroharmine. With a topological polar surface area (TPSA) of 37.1 Ų, (+-)-Tetrahydroharmine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (+-)-Tetrahydroharmine has 2 hydrogen bond donor(s) and 2 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 (+-)-Tetrahydroharmine?
The CAS number of (+-)-Tetrahydroharmine is 5444-55-3.
What is the molecular formula of (+-)-Tetrahydroharmine?
The molecular formula of (+-)-Tetrahydroharmine is C13H16N2O.
What is the molecular weight of (+-)-Tetrahydroharmine?
The molecular weight of (+-)-Tetrahydroharmine is 216.13 g/mol.
Where can I buy (+-)-Tetrahydroharmine?
You can request a quote for (+-)-Tetrahydroharmine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+-)-Tetrahydroharmine?
Yes, KEHONG BIO provides custom synthesis services for (+-)-Tetrahydroharmine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.