Isococculidine
TL;DR: Isococculidine (CAS 60229-91-6) is a chemical compound with molecular formula C18H23NO2 and molecular weight 285.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,4aR,13bS)-2,12-dimethoxy-2,4a,5,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinoline
Also Known As: Isococculidine, 3,15-Dimethoxyerythrinan, 3,15-Dimethoxy-1,2-didehydroerythrinan, 1,2-didehydro-3beta,15-dimethoxyerythrinan, (9xi)-3beta,15-Dimethoxy-1,2-didehydroerythrinan
| Molecular Formula | C18H23NO2 |
|---|---|
| Molecular Weight | 285.17 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 21.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.17288 |
| Heavy Atoms | 21 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 60229-91-6 |
|---|---|
| SMILES | CO[C@@H]1C[C@@]23[C@H](CCN2CCC4=C3C=C(C=C4)OC)C=C1 |
| InChIKey | FWXCNFQLKQCXQP-ZVZYQTTQSA-N |
Product Overview
Isococculidine (CAS 60229-91-6), with molecular formula C18H23NO2 and molecular weight 285.17 g/mol. IUPAC: (2R,4aR,13bS)-2,12-dimethoxy-2,4a,5,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinoline.
Chemical Property Profile of Isococculidine
Property Insights of Isococculidine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isococculidine. With a topological polar surface area (TPSA) of 21.7 Ų, Isococculidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isococculidine has 0 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 Isococculidine?
The CAS number of Isococculidine is 60229-91-6.
What is the molecular formula of Isococculidine?
The molecular formula of Isococculidine is C18H23NO2.
What is the molecular weight of Isococculidine?
The molecular weight of Isococculidine is 285.17 g/mol.
Where can I buy Isococculidine?
You can request a quote for Isococculidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isococculidine?
Yes, KEHONG BIO provides custom synthesis services for Isococculidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.