C22H21NO8
TL;DR: C22H21NO8 (CAS 469875-71-6) is a chemical compound with molecular formula C22H21NO8 and molecular weight 427.1267 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[(Z)-2-cyano-3-methoxy-3-oxoprop-1-enyl]-2-methoxyphenyl] 3,4,5-trimethoxybenzoate
Also Known As: (Z)-4-(2-cyano-3-methoxy-3-oxoprop-1-en-1-yl)-2-methoxyphenyl 3,4,5-trimethoxybenzoate, [4-(2-cyano-2-methoxycarbonyl-ethenyl)-2-methoxy-phenyl] 3,4,5-trimethoxybenzoate, 4-[(1Z)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 3,4,5-trimethoxybenzoate
Technical Specifications
| Molecular Formula | C22H21NO8 |
| Molecular Weight | 427.1267 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 427.1267 Da |
| Heavy Atoms | 31 |
| Complexity | 685.0 |
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)OC2=C(C=C(C=C2)/C=C(/C#N)\C(=O)OC)OC |
| InChIKey | UQDISJBLSSFYCK-NVNXTCNLSA-N |
Chemical Property Profile of C22H21NO8
Property Insights of C22H21NO8
The XLogP value of 3.4 indicates that C22H21NO8 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C22H21NO8. Following Lipinski's Rule of Five, C22H21NO8 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C22H21NO8?
The CAS number of C22H21NO8 is 469875-71-6.
What is the molecular formula of C22H21NO8?
The molecular formula of C22H21NO8 is C22H21NO8.
What is the molecular weight of C22H21NO8?
The molecular weight of C22H21NO8 is 427.1267 g/mol.
Where can I buy C22H21NO8?
You can request a quote for C22H21NO8 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C22H21NO8?
Yes, CoreyChem provides custom synthesis services for C22H21NO8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.