Coccutrine
TL;DR: Coccutrine (CAS 6626-74-0) is a chemical compound with molecular formula C18H23NO3 and molecular weight 301.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2,10-dimethoxy-2,3,5,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinolin-12-ol
Also Known As: Coccutrine, KST-1A7231, 3,17-Dimethoxy-1,6-didehydroerythrinan-15-ol, (3, A)-3,17-dimethoxy-1,6-didehydroerythrinan-15-ol
| Molecular Formula | C18H23NO3 |
|---|---|
| Molecular Weight | 301.17 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.1678 |
| Heavy Atoms | 22 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 6626-74-0 |
|---|---|
| SMILES | CO[C@H]1CC=C2CCN3C2(C1)C4=C(CC3)C(=CC(=C4)O)OC |
| InChIKey | RDXIEGVPUDECJS-PIVQAISJSA-N |
Product Overview
Coccutrine (CAS 6626-74-0), with molecular formula C18H23NO3 and molecular weight 301.17 g/mol. IUPAC: (2S)-2,10-dimethoxy-2,3,5,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinolin-12-ol.
Chemical Property Profile of Coccutrine
Property Insights of Coccutrine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Coccutrine. With a topological polar surface area (TPSA) of 41.9 Ų, Coccutrine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Coccutrine has 1 hydrogen bond donor(s) and 4 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 Coccutrine?
The CAS number of Coccutrine is 6626-74-0.
What is the molecular formula of Coccutrine?
The molecular formula of Coccutrine is C18H23NO3.
What is the molecular weight of Coccutrine?
The molecular weight of Coccutrine is 301.17 g/mol.
Where can I buy Coccutrine?
You can request a quote for Coccutrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coccutrine?
Yes, KEHONG BIO provides custom synthesis services for Coccutrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.