3,11,12,21-tetrahydro-1H-yohimban-14-one
TL;DR: 3,11,12,21-tetrahydro-1H-yohimban-14-one (CAS 39662-68-5) is a chemical compound with molecular formula C19H16N2O and molecular weight 288.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,11,12,21-tetrahydro-1H-yohimban-14-one
Also Known As: 3,11,12,21-tetrahydro-1H-yohimban-14-one, AO-801/41077355, 15,16,17,18,19,20-Hexadehydroyohimban-21-one, 8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[1,2-b]isoquinolin-5(7H)-one
| Molecular Formula | C19H16N2O |
|---|---|
| Molecular Weight | 288.13 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 36.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 288.12625 |
| Heavy Atoms | 22 |
| Complexity | 464.0 |
Chemical Identifiers
| CAS Number | 39662-68-5 |
|---|---|
| SMILES | C1CN2C(CC3=CC=CC=C3C2=O)C4=C1C5=CC=CC=C5N4 |
| InChIKey | JFYGOKQVGRLDGO-UHFFFAOYSA-N |
Product Overview
3,11,12,21-tetrahydro-1H-yohimban-14-one (CAS 39662-68-5), with molecular formula C19H16N2O and molecular weight 288.13 g/mol. IUPAC: 3,11,12,21-tetrahydro-1H-yohimban-14-one.
Chemical Property Profile of 3,11,12,21-tetrahydro-1H-yohimban-14-one
Property Insights of 3,11,12,21-tetrahydro-1H-yohimban-14-one
The XLogP value of 3.1 indicates that 3,11,12,21-tetrahydro-1H-yohimban-14-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.1 Ų, 3,11,12,21-tetrahydro-1H-yohimban-14-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,11,12,21-tetrahydro-1H-yohimban-14-one has 1 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 3,11,12,21-tetrahydro-1H-yohimban-14-one?
The CAS number of 3,11,12,21-tetrahydro-1H-yohimban-14-one is 39662-68-5.
What is the molecular formula of 3,11,12,21-tetrahydro-1H-yohimban-14-one?
The molecular formula of 3,11,12,21-tetrahydro-1H-yohimban-14-one is C19H16N2O.
What is the molecular weight of 3,11,12,21-tetrahydro-1H-yohimban-14-one?
The molecular weight of 3,11,12,21-tetrahydro-1H-yohimban-14-one is 288.13 g/mol.
Where can I buy 3,11,12,21-tetrahydro-1H-yohimban-14-one?
You can request a quote for 3,11,12,21-tetrahydro-1H-yohimban-14-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,11,12,21-tetrahydro-1H-yohimban-14-one?
Yes, KEHONG BIO provides custom synthesis services for 3,11,12,21-tetrahydro-1H-yohimban-14-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.