Cycloclavin
TL;DR: Cycloclavin (CAS 26057-57-8) is a chemical compound with molecular formula C16H18N2 and molecular weight 238.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,4R,7R)-4,6-dimethyl-6,11-diazapentacyclo[7.6.1.02,4.02,7.012,16]hexadeca-1(16),9,12,14-tetraene
Also Known As: Cycloclavine, Cycloclavin, 6,8-Dimethyl-8,10-cycloergoline, 6,8beta-Dimethyl-8,10-cycloergoline, 1H-Cycloprop(c)indolo(4,3-ef)indole, 1a,2,3,3a,4,6-hexahydro-1a,3-dimethyl-, (1aR,3aR,9bR)-
| Molecular Formula | C16H18N2 |
|---|---|
| Molecular Weight | 238.15 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 19.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 238.147 |
| Heavy Atoms | 18 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 26057-57-8 |
|---|---|
| SMILES | C[C@@]12C[C@]13[C@@H](CC4=CNC5=CC=CC3=C45)N(C2)C |
| InChIKey | ZWJHDICNUKHUGE-KBMXLJTQSA-N |
Product Overview
Cycloclavin (CAS 26057-57-8), with molecular formula C16H18N2 and molecular weight 238.15 g/mol. IUPAC: (2R,4R,7R)-4,6-dimethyl-6,11-diazapentacyclo[7.6.1.02,4.02,7.012,16]hexadeca-1(16),9,12,14-tetraene.
Chemical Property Profile of Cycloclavin
Property Insights of Cycloclavin
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cycloclavin. With a topological polar surface area (TPSA) of 19.0 Ų, Cycloclavin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cycloclavin 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 Cycloclavin?
The CAS number of Cycloclavin is 26057-57-8.
What is the molecular formula of Cycloclavin?
The molecular formula of Cycloclavin is C16H18N2.
What is the molecular weight of Cycloclavin?
The molecular weight of Cycloclavin is 238.15 g/mol.
Where can I buy Cycloclavin?
You can request a quote for Cycloclavin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cycloclavin?
Yes, KEHONG BIO provides custom synthesis services for Cycloclavin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.