1,3-Diethyl ((4-dodecyl-3-sulphophenyl)azo)malonate
TL;DR: 1,3-Diethyl ((4-dodecyl-3-sulphophenyl)azo)malonate (CAS 84696-94-6) is a chemical compound with molecular formula C25H40N2O7S and molecular weight 512.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(1,3-diethoxy-1,3-dioxopropan-2-yl)diazenyl]-2-dodecylbenzenesulfonic acid
Also Known As: EINECS 283-702-1, 1,3-Diethyl ((4-dodecyl-3-sulphophenyl)azo)malonate, 1,3-Diethyl [(4-dodecyl-3-sulfophenyl)azo]malonate, 1,3-diethyl [(4-dodecyl-3-sulphophenyl)azo]malonate, 1,3-Diethyl 2-[2-(4-dodecyl-3-sulfophenyl)diazenyl]propanedioate
| Molecular Formula | C25H40N2O7S |
|---|---|
| Molecular Weight | 512.26 g/mol |
| LogP | 5.9752 |
| Topological Polar Surface Area | 131.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 18 |
| Exact Mass | 512.2556 |
| Heavy Atoms | 35 |
| Complexity | 898.39044 |
Chemical Identifiers
| CAS Number | 84696-94-6 |
|---|---|
| SMILES | CCCCCCCCCCCCC1=C(C=C(C=C1)N=NC(C(=O)OCC)C(=O)OCC)S(=O)(=O)O |
Product Overview
1,3-Diethyl ((4-dodecyl-3-sulphophenyl)azo)malonate (CAS 84696-94-6), with molecular formula C25H40N2O7S and molecular weight 512.26 g/mol. IUPAC: 5-[(1,3-diethoxy-1,3-dioxopropan-2-yl)diazenyl]-2-dodecylbenzenesulfonic acid.
Chemical Property Profile of 1,3-Diethyl ((4-dodecyl-3-sulphophenyl)azo)malonate
Property Insights of 1,3-Diethyl ((4-dodecyl-3-sulphophenyl)azo)malonate
The XLogP value of 5.9752 indicates that 1,3-Diethyl ((4-dodecyl-3-sulphophenyl)azo)malonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Diethyl ((4-dodecyl-3-sulphophenyl)azo)malonate. Following Lipinski's Rule of Five, 1,3-Diethyl ((4-dodecyl-3-sulphophenyl)azo)malonate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Diethyl ((4-dodecyl-3-sulphophenyl)azo)malonate?
The CAS number of 1,3-Diethyl ((4-dodecyl-3-sulphophenyl)azo)malonate is 84696-94-6.
What is the molecular formula of 1,3-Diethyl ((4-dodecyl-3-sulphophenyl)azo)malonate?
The molecular formula of 1,3-Diethyl ((4-dodecyl-3-sulphophenyl)azo)malonate is C25H40N2O7S.
What is the molecular weight of 1,3-Diethyl ((4-dodecyl-3-sulphophenyl)azo)malonate?
The molecular weight of 1,3-Diethyl ((4-dodecyl-3-sulphophenyl)azo)malonate is 512.26 g/mol.
Where can I buy 1,3-Diethyl ((4-dodecyl-3-sulphophenyl)azo)malonate?
You can request a quote for 1,3-Diethyl ((4-dodecyl-3-sulphophenyl)azo)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diethyl ((4-dodecyl-3-sulphophenyl)azo)malonate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diethyl ((4-dodecyl-3-sulphophenyl)azo)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.