C28H21N7O4
TL;DR: C28H21N7O4 (CAS 127786-21-4) is a chemical compound with molecular formula C28H21N7O4 and molecular weight 519.1655 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(2E)-2-[furan-2-yl-[(2-methyl-4-oxoquinazolin-3-yl)amino]methylidene]hydrazinyl]-N-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]iminobenzamide
Also Known As: 6-Aminomethyl-6,11-dihydro-5H-dibenz[b,e]azepine (E)-2-butenedioate, 4-[(2E)-2-[furan-2-yl-[(2-methyl-4-oxoquinazolin-3-yl)amino]methylidene]hydrazinyl]-N-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]iminobenzamide, Benzoic acid, 4-((2-furanyl((2-methyl-4-oxo-3(4H)-quinazolinyl)imino)methyl)azo)-, ((2-hydroxyphenyl)methylene)hydrazide
Technical Specifications
| Molecular Formula | C28H21N7O4 |
| Molecular Weight | 519.1655 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 141.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 519.1655 Da |
| Heavy Atoms | 39 |
| Complexity | 1150.0 |
| SMILES | CC1=NC2=CC=CC=C2C(=O)N1N/C(=N/NC3=CC=C(C=C3)C(=O)N=N/C=C/4\C=CC=CC4=O)/C5=CC=CO5 |
| InChIKey | ZFDUYIDDCLDRSM-RTFQXAIVSA-N |
Chemical Property Profile of C28H21N7O4
Property Insights of C28H21N7O4
The XLogP value of 4.6 indicates that C28H21N7O4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting C28H21N7O4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C28H21N7O4 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C28H21N7O4?
The CAS number of C28H21N7O4 is 127786-21-4.
What is the molecular formula of C28H21N7O4?
The molecular formula of C28H21N7O4 is C28H21N7O4.
What is the molecular weight of C28H21N7O4?
The molecular weight of C28H21N7O4 is 519.1655 g/mol.
Where can I buy C28H21N7O4?
You can request a quote for C28H21N7O4 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C28H21N7O4?
Yes, CoreyChem provides custom synthesis services for C28H21N7O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.