(-)-trans-Clavicipitic acid
TL;DR: (-)-trans-Clavicipitic acid (CAS 84986-03-8) is a chemical compound with molecular formula C16H18N2O2 and molecular weight 270.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9R,11S)-9-(2-methylprop-1-enyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-11-carboxylic acid
Also Known As: clavicipitic acid, Clavicipitic-acid, Clavicipitic acid I, (-)-trans-clavicipitic acid, trans-Clavicipitic acid
| Molecular Formula | C16H18N2O2 |
|---|---|
| Molecular Weight | 270.14 g/mol |
| LogP | 2.7741 |
| Topological Polar Surface Area | 65.12 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.13684 |
| Heavy Atoms | 20 |
| Complexity | 695.5648 |
Chemical Identifiers
| CAS Number | 84986-03-8 |
|---|---|
| SMILES | CC(=C[C@@H]1C2=C3C(=CNC3=CC=C2)C[C@H](N1)C(=O)O)C |
Product Overview
(-)-trans-Clavicipitic acid (CAS 84986-03-8), with molecular formula C16H18N2O2 and molecular weight 270.14 g/mol. IUPAC: (9R,11S)-9-(2-methylprop-1-enyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-11-carboxylic acid.
Chemical Property Profile of (-)-trans-Clavicipitic acid
Property Insights of (-)-trans-Clavicipitic acid
The XLogP value of 2.7741 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (-)-trans-Clavicipitic acid. The TPSA of 65.12 Ų falls within the moderate polarity range, balancing permeability and solubility for (-)-trans-Clavicipitic acid. Following Lipinski's Rule of Five, (-)-trans-Clavicipitic acid has 3 hydrogen bond donor(s) and 2 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 (-)-trans-Clavicipitic acid?
The CAS number of (-)-trans-Clavicipitic acid is 84986-03-8.
What is the molecular formula of (-)-trans-Clavicipitic acid?
The molecular formula of (-)-trans-Clavicipitic acid is C16H18N2O2.
What is the molecular weight of (-)-trans-Clavicipitic acid?
The molecular weight of (-)-trans-Clavicipitic acid is 270.14 g/mol.
Where can I buy (-)-trans-Clavicipitic acid?
You can request a quote for (-)-trans-Clavicipitic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (-)-trans-Clavicipitic acid?
Yes, KEHONG BIO provides custom synthesis services for (-)-trans-Clavicipitic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.