(E)-butyl 4-((3-(butylamino)-8-hydroxy-4-oxonaphthalen-1(4H)-ylidene)amino)benzoate
TL;DR: (E)-butyl 4-((3-(butylamino)-8-hydroxy-4-oxonaphthalen-1(4H)-ylidene)amino)benzoate (CAS 799790-36-6) is a chemical compound with molecular formula C25H28N2O4 and molecular weight 420.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[(3-butylimino-8-hydroxy-4-oxonaphthalen-1-yl)amino]benzoate
Also Known As: (E)-butyl 4-((3-(butylamino)-8-hydroxy-4-oxonaphthalen-1(4H)-ylidene)amino)benzoate, Butyl 4-[(3-butylamino-4,8-dioxo-naphthalen-1-yl)amino]benzoate, butyl 4-[[3-(butylamino)-4,8-dioxonaphthalen-1-yl]amino]benzoate, butyl 4-{[(1E)-3-(butylamino)-8-hydroxy-4-oxonaphthalen-1(4H)-ylidene]amino}benzoate
| Molecular Formula | C25H28N2O4 |
|---|---|
| Molecular Weight | 420.20 g/mol |
| LogP | 5.2395 |
| Topological Polar Surface Area | 87.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 420.2049 |
| Heavy Atoms | 31 |
| Complexity | 1006.6821 |
Chemical Identifiers
| CAS Number | 799790-36-6 |
|---|---|
| SMILES | CCCCN=C1C=C(C2=C(C1=O)C=CC=C2O)NC3=CC=C(C=C3)C(=O)OCCCC |
Product Overview
(E)-butyl 4-((3-(butylamino)-8-hydroxy-4-oxonaphthalen-1(4H)-ylidene)amino)benzoate (CAS 799790-36-6), with molecular formula C25H28N2O4 and molecular weight 420.20 g/mol. IUPAC: butyl 4-[(3-butylimino-8-hydroxy-4-oxonaphthalen-1-yl)amino]benzoate.
Chemical Property Profile of (E)-butyl 4-((3-(butylamino)-8-hydroxy-4-oxonaphthalen-1(4H)-ylidene)amino)benzoate
Property Insights of (E)-butyl 4-((3-(butylamino)-8-hydroxy-4-oxonaphthalen-1(4H)-ylidene)amino)benzoate
The XLogP value of 5.2395 indicates that (E)-butyl 4-((3-(butylamino)-8-hydroxy-4-oxonaphthalen-1(4H)-ylidene)amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.99 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-butyl 4-((3-(butylamino)-8-hydroxy-4-oxonaphthalen-1(4H)-ylidene)amino)benzoate. Following Lipinski's Rule of Five, (E)-butyl 4-((3-(butylamino)-8-hydroxy-4-oxonaphthalen-1(4H)-ylidene)amino)benzoate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-butyl 4-((3-(butylamino)-8-hydroxy-4-oxonaphthalen-1(4H)-ylidene)amino)benzoate?
The CAS number of (E)-butyl 4-((3-(butylamino)-8-hydroxy-4-oxonaphthalen-1(4H)-ylidene)amino)benzoate is 799790-36-6.
What is the molecular formula of (E)-butyl 4-((3-(butylamino)-8-hydroxy-4-oxonaphthalen-1(4H)-ylidene)amino)benzoate?
The molecular formula of (E)-butyl 4-((3-(butylamino)-8-hydroxy-4-oxonaphthalen-1(4H)-ylidene)amino)benzoate is C25H28N2O4.
What is the molecular weight of (E)-butyl 4-((3-(butylamino)-8-hydroxy-4-oxonaphthalen-1(4H)-ylidene)amino)benzoate?
The molecular weight of (E)-butyl 4-((3-(butylamino)-8-hydroxy-4-oxonaphthalen-1(4H)-ylidene)amino)benzoate is 420.20 g/mol.
Where can I buy (E)-butyl 4-((3-(butylamino)-8-hydroxy-4-oxonaphthalen-1(4H)-ylidene)amino)benzoate?
You can request a quote for (E)-butyl 4-((3-(butylamino)-8-hydroxy-4-oxonaphthalen-1(4H)-ylidene)amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-butyl 4-((3-(butylamino)-8-hydroxy-4-oxonaphthalen-1(4H)-ylidene)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-butyl 4-((3-(butylamino)-8-hydroxy-4-oxonaphthalen-1(4H)-ylidene)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.