Terephthalaldehydsaeure-oxim
TL;DR: Terephthalaldehydsaeure-oxim (CAS 47487-05-8) is a chemical compound with molecular formula C20H26N4O10 and molecular weight 482.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;5-[(6,7,8-trimethoxyquinazolin-4-yl)amino]pentyl nitrate
Also Known As: Terephthalaldehydsaeure-oxim, KT 1, 5-((6,7,8-Trimethoxyquinazolin-4-yl)amino)pentyl nitrate maleate, 5-((6,7,8-Trimethoxy-4-quinazolinyl)amino)-1-pentanyl nitrate maleate, 5-[(6,7,8-TRIMETHOXYQUINAZOLIN-4-YL)AMINO]PENTYL NITRATE MALEATE
| Molecular Formula | C20H26N4O10 |
|---|---|
| Molecular Weight | 482.16 g/mol |
| LogP | 2.1579 |
| Topological Polar Surface Area | 195.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 12 |
| Exact Mass | 482.1649 |
| Heavy Atoms | 34 |
| Complexity | 543.0 |
Chemical Identifiers
| CAS Number | 47487-05-8 |
|---|---|
| SMILES | COC1=C(C(=C2C(=C1)C(=NC=N2)NCCCCCO[N+](=O)[O-])OC)OC.C(=CC(=O)O)C(=O)O |
| InChIKey | HYJLIYABULAXFC-UHFFFAOYSA-N |
Product Overview
Terephthalaldehydsaeure-oxim (CAS 47487-05-8), with molecular formula C20H26N4O10 and molecular weight 482.16 g/mol. IUPAC: but-2-enedioic acid;5-[(6,7,8-trimethoxyquinazolin-4-yl)amino]pentyl nitrate.
Chemical Property Profile of Terephthalaldehydsaeure-oxim
Property Insights of Terephthalaldehydsaeure-oxim
The XLogP value of 2.1579 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Terephthalaldehydsaeure-oxim. The TPSA of 195.0 Ų indicates high polarity, suggesting Terephthalaldehydsaeure-oxim may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Terephthalaldehydsaeure-oxim has 3 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Terephthalaldehydsaeure-oxim?
The CAS number of Terephthalaldehydsaeure-oxim is 47487-05-8.
What is the molecular formula of Terephthalaldehydsaeure-oxim?
The molecular formula of Terephthalaldehydsaeure-oxim is C20H26N4O10.
What is the molecular weight of Terephthalaldehydsaeure-oxim?
The molecular weight of Terephthalaldehydsaeure-oxim is 482.16 g/mol.
Where can I buy Terephthalaldehydsaeure-oxim?
You can request a quote for Terephthalaldehydsaeure-oxim directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Terephthalaldehydsaeure-oxim?
Yes, KEHONG BIO provides custom synthesis services for Terephthalaldehydsaeure-oxim and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.