四氢哈尔满
TL;DR: 四氢哈尔满 (CAS 525-40-6) is a chemical compound with molecular formula C12H14N2 and molecular weight 186.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
四氢哈尔满
(1R)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Also Known As: Calligonine, Elaeagnine, Methtryptoline, Tetrahydroharman, (+)-Tetrahydroharman
| Molecular Formula | C12H14N2 |
|---|---|
| Molecular Weight | 186.12 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 27.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 186.11569 |
| Heavy Atoms | 14 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 525-40-6 |
|---|---|
| SMILES | C[C@@H]1C2=C(CCN1)C3=CC=CC=C3N2 |
| InChIKey | LPIJOZBIVDCQTE-MRVPVSSYSA-N |
Product Overview
四氢哈尔满 (CAS 525-40-6), with molecular formula C12H14N2 and molecular weight 186.12 g/mol. IUPAC: (1R)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole.
Chemical Property Profile of 四氢哈尔满
Property Insights of 四氢哈尔满
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 四氢哈尔满. With a topological polar surface area (TPSA) of 27.8 Ų, 四氢哈尔满 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 四氢哈尔满 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 四氢哈尔满?
The CAS number of 四氢哈尔满 is 525-40-6.
What is the molecular formula of 四氢哈尔满?
The molecular formula of 四氢哈尔满 is C12H14N2.
What is the molecular weight of 四氢哈尔满?
The molecular weight of 四氢哈尔满 is 186.12 g/mol.
Where can I buy 四氢哈尔满?
You can request a quote for 四氢哈尔满 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 四氢哈尔满?
Yes, KEHONG BIO provides custom synthesis services for 四氢哈尔满 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.