Cornocentin
TL;DR: Cornocentin (CAS 6815-20-9) is a chemical compound with molecular formula C23H27N3O6 and molecular weight 441.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,9R)-N-[(2S)-1-hydroxypropan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;but-2-enedioic acid
Also Known As: Cornocentin, Ergotrate, Ermetrin, Oxytocic, Ergomet
| Molecular Formula | C23H27N3O6 |
|---|---|
| Molecular Weight | 441.19 g/mol |
| LogP | 1.2464 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 441.18997 |
| Heavy Atoms | 32 |
| Complexity | 654.0 |
Chemical Identifiers
| CAS Number | 6815-20-9 |
|---|---|
| SMILES | C[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C.C(=CC(=O)O)C(=O)O |
| InChIKey | YREISLCRUMOYAY-VSDOXBCFSA-N |
Product Overview
Cornocentin (CAS 6815-20-9), with molecular formula C23H27N3O6 and molecular weight 441.19 g/mol. IUPAC: (6aR,9R)-N-[(2S)-1-hydroxypropan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;but-2-enedioic acid.
Chemical Property Profile of Cornocentin
Property Insights of Cornocentin
The XLogP value of 1.2464 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cornocentin. The TPSA of 143.0 Ų indicates high polarity, suggesting Cornocentin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cornocentin has 5 hydrogen bond donor(s) and 7 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 Cornocentin?
The CAS number of Cornocentin is 6815-20-9.
What is the molecular formula of Cornocentin?
The molecular formula of Cornocentin is C23H27N3O6.
What is the molecular weight of Cornocentin?
The molecular weight of Cornocentin is 441.19 g/mol.
Where can I buy Cornocentin?
You can request a quote for Cornocentin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cornocentin?
Yes, KEHONG BIO provides custom synthesis services for Cornocentin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.