2,5-Diisobutylamino embelin
TL;DR: 2,5-Diisobutylamino embelin (CAS 60198-38-1) is a chemical compound with molecular formula C25H48N2O4 and molecular weight 440.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione;bis(2-methylpropan-1-amine)
Also Known As: 2,5-Diisobutylamino embelin, 2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3-undecyl-, compd. with 2-methyl-1-propanamine(1:2), 2,5-Dihydroxy-3-undecyl-2,5-cyclohexadiene-1,4-dione compd. with 2-methyl-1-propanamine (1:2), 2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione,2-methylpropan-1-amine, 2,5-Dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione--2-methylpropan-1-amine (1/2)
| Molecular Formula | C25H48N2O4 |
|---|---|
| Molecular Weight | 440.36 g/mol |
| LogP | 5.5153 |
| Topological Polar Surface Area | 126.64 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 440.36142 |
| Heavy Atoms | 31 |
| Complexity | 543.7252 |
Chemical Identifiers
| CAS Number | 60198-38-1 |
|---|---|
| SMILES | CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O.CC(C)CN.CC(C)CN |
Product Overview
2,5-Diisobutylamino embelin (CAS 60198-38-1), with molecular formula C25H48N2O4 and molecular weight 440.36 g/mol. IUPAC: 2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione;bis(2-methylpropan-1-amine).
Chemical Property Profile of 2,5-Diisobutylamino embelin
Property Insights of 2,5-Diisobutylamino embelin
The XLogP value of 5.5153 indicates that 2,5-Diisobutylamino embelin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Diisobutylamino embelin. Following Lipinski's Rule of Five, 2,5-Diisobutylamino embelin has 4 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 2,5-Diisobutylamino embelin?
The CAS number of 2,5-Diisobutylamino embelin is 60198-38-1.
What is the molecular formula of 2,5-Diisobutylamino embelin?
The molecular formula of 2,5-Diisobutylamino embelin is C25H48N2O4.
What is the molecular weight of 2,5-Diisobutylamino embelin?
The molecular weight of 2,5-Diisobutylamino embelin is 440.36 g/mol.
Where can I buy 2,5-Diisobutylamino embelin?
You can request a quote for 2,5-Diisobutylamino embelin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Diisobutylamino embelin?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Diisobutylamino embelin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.