冠毒素
TL;DR: 冠毒素 (CAS 62251-96-1) is a chemical compound with molecular formula C18H25NO4 and molecular weight 319.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
冠毒素
trans-(1S,2S)-1-[[(3aS,6R,7aS)-6-ethyl-1-oxo-2,3,3a,6,7,7a-hexahydroindene-4-carbonyl]amino]-2-ethylcyclopropane-1-carboxylic acid
Also Known As: Coronatine, (+)-coronatine, Coronatine, (+)-, KST-1A6847, HY-N11420
| Molecular Formula | C18H25NO4 |
|---|---|
| Molecular Weight | 319.18 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.17834 |
| Heavy Atoms | 23 |
| Complexity | 582.0 |
Chemical Identifiers
| CAS Number | 62251-96-1 |
|---|---|
| SMILES | CC[C@@H]1C[C@H]2[C@H](CCC2=O)C(=C1)C(=O)N[C@]3(C[C@@H]3CC)C(=O)O |
| InChIKey | FMGBNISRFNDECK-CZSBRECXSA-N |
Product Overview
冠毒素 (CAS 62251-96-1), with molecular formula C18H25NO4 and molecular weight 319.18 g/mol. IUPAC: trans-(1S,2S)-1-[[(3aS,6R,7aS)-6-ethyl-1-oxo-2,3,3a,6,7,7a-hexahydroindene-4-carbonyl]amino]-2-ethylcyclopropane-1-carboxylic acid.
Chemical Property Profile of 冠毒素
Property Insights of 冠毒素
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 冠毒素. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 冠毒素. Following Lipinski's Rule of Five, 冠毒素 has 2 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 冠毒素?
The CAS number of 冠毒素 is 62251-96-1.
What is the molecular formula of 冠毒素?
The molecular formula of 冠毒素 is C18H25NO4.
What is the molecular weight of 冠毒素?
The molecular weight of 冠毒素 is 319.18 g/mol.
Where can I buy 冠毒素?
You can request a quote for 冠毒素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 冠毒素?
Yes, KEHONG BIO provides custom synthesis services for 冠毒素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.