Isocorynoxeine
TL;DR: Isocorynoxeine (CAS 51014-29-0) is a chemical compound with molecular formula C22H26N2O4 and molecular weight 382.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3S,6'R,7'S,8'aS)-6'-ethenyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate
Also Known As: Isocorynoxeine
| Molecular Formula | C22H26N2O4 |
|---|---|
| Molecular Weight | 382.19 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.18927 |
| Heavy Atoms | 28 |
| Complexity | 690.0 |
Chemical Identifiers
| CAS Number | 51014-29-0 |
|---|---|
| SMILES | COC=C([C@H]1C[C@H]2[C@]3(CCN2C[C@@H]1C=C)C4=CC=CC=C4NC3=O)C(=O)OC |
| InChIKey | MUVGVMUWMAGNSY-STAGFUQPSA-N |
Product Overview
Isocorynoxeine (CAS 51014-29-0), with molecular formula C22H26N2O4 and molecular weight 382.19 g/mol. IUPAC: methyl 2-[(3S,6'R,7'S,8'aS)-6'-ethenyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate.
Chemical Property Profile of Isocorynoxeine
Property Insights of Isocorynoxeine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isocorynoxeine. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Isocorynoxeine. Following Lipinski's Rule of Five, Isocorynoxeine has 1 hydrogen bond donor(s) and 5 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 Isocorynoxeine?
The CAS number of Isocorynoxeine is 51014-29-0.
What is the molecular formula of Isocorynoxeine?
The molecular formula of Isocorynoxeine is C22H26N2O4.
What is the molecular weight of Isocorynoxeine?
The molecular weight of Isocorynoxeine is 382.19 g/mol.
Where can I buy Isocorynoxeine?
You can request a quote for Isocorynoxeine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isocorynoxeine?
Yes, KEHONG BIO provides custom synthesis services for Isocorynoxeine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.