Isoapomorphine
TL;DR: Isoapomorphine (CAS 3868-36-8) is a chemical compound with molecular formula C17H17NO2 and molecular weight 267.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-9,10-diol
Also Known As: Isoapomorphine, 9,10-Dihydroxyaporphine, (6ar)-6-methyl-5,6,6a,7-tetrahydro-4h-dibenzo[de,g]quinoline-9,10-diol, 5,6,6a,7-Tetrahydro-6-methyl-4H-dibenzo(de,g)quinoline-9,10-diol, 4H-Dibenzo[de,g]quinoline-9,10-diol,5,6,6a,7-tetrahydro-6-methyl-, (6aR)-
| Molecular Formula | C17H17NO2 |
|---|---|
| Molecular Weight | 267.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 43.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 267.12592 |
| Heavy Atoms | 20 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 3868-36-8 |
|---|---|
| SMILES | CN1CCC2=C3[C@H]1CC4=CC(=C(C=C4C3=CC=C2)O)O |
| InChIKey | ISTXHGONSIOJQO-CQSZACIVSA-N |
Product Overview
Isoapomorphine (CAS 3868-36-8), with molecular formula C17H17NO2 and molecular weight 267.13 g/mol. IUPAC: (6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-9,10-diol.
Chemical Property Profile of Isoapomorphine
Property Insights of Isoapomorphine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoapomorphine. With a topological polar surface area (TPSA) of 43.7 Ų, Isoapomorphine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoapomorphine has 2 hydrogen bond donor(s) and 3 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 Isoapomorphine?
The CAS number of Isoapomorphine is 3868-36-8.
What is the molecular formula of Isoapomorphine?
The molecular formula of Isoapomorphine is C17H17NO2.
What is the molecular weight of Isoapomorphine?
The molecular weight of Isoapomorphine is 267.13 g/mol.
Where can I buy Isoapomorphine?
You can request a quote for Isoapomorphine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoapomorphine?
Yes, KEHONG BIO provides custom synthesis services for Isoapomorphine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.