3-草酰邻苯二甲酸
TL;DR: 3-草酰邻苯二甲酸 (CAS 64086-96-0) is a chemical compound with molecular formula C28H24N6O3 and molecular weight 492.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-草酰邻苯二甲酸
2-acetyl-1-amino-4-[[4-phenyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]anthracene-9,10-dione
Also Known As: 3-oxalophthalic acid, 9,10-Anthracenedione, 2-acetyl-1-amino-4-[[4-[(1-methylethyl)amino]-6-phenyl-1,3,5-triazin-2-yl]amino]-, 9,10-Anthracenedione, 2-acetyl-1-amino-4-((4-((1-methylethyl)amino)-6-phenyl-1,3,5-triazin-2-yl)amino)-, 2-Acetyl-1-amino-4-((4-((1-methylethyl)amino)-6-phenyl-1,3,5-triazin-2-yl)amino)-9,10-anthracenedione, 2-acetyl-1-amino-4-{[4-(isopropylamino)-6-phenyl-1,3,5-triazin-2-yl]amino}-9,10-anthraquinone
| Molecular Formula | C28H24N6O3 |
|---|---|
| Molecular Weight | 492.19 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 492.19098 |
| Heavy Atoms | 37 |
| Complexity | 861.0 |
Chemical Identifiers
| CAS Number | 64086-96-0 |
|---|---|
| SMILES | CC(C)NC1=NC(=NC(=N1)NC2=C3C(=C(C(=C2)C(=O)C)N)C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5 |
| InChIKey | ZNPYBNNSPKOGPQ-UHFFFAOYSA-N |
Product Overview
3-草酰邻苯二甲酸 (CAS 64086-96-0), with molecular formula C28H24N6O3 and molecular weight 492.19 g/mol. IUPAC: 2-acetyl-1-amino-4-[[4-phenyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]anthracene-9,10-dione.
Chemical Property Profile of 3-草酰邻苯二甲酸
Property Insights of 3-草酰邻苯二甲酸
The XLogP value of 5.7 indicates that 3-草酰邻苯二甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.0 Ų indicates high polarity, suggesting 3-草酰邻苯二甲酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-草酰邻苯二甲酸 has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-草酰邻苯二甲酸?
The CAS number of 3-草酰邻苯二甲酸 is 64086-96-0.
What is the molecular formula of 3-草酰邻苯二甲酸?
The molecular formula of 3-草酰邻苯二甲酸 is C28H24N6O3.
What is the molecular weight of 3-草酰邻苯二甲酸?
The molecular weight of 3-草酰邻苯二甲酸 is 492.19 g/mol.
Where can I buy 3-草酰邻苯二甲酸?
You can request a quote for 3-草酰邻苯二甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-草酰邻苯二甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-草酰邻苯二甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.