Diethyl ((5-chloro-4-methyl-2-sulphophenyl)azo)malonate
TL;DR: Diethyl ((5-chloro-4-methyl-2-sulphophenyl)azo)malonate (CAS 84696-90-2) is a chemical compound with molecular formula C14H17ClN2O7S and molecular weight 392.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-[(1,3-diethoxy-1,3-dioxopropan-2-yl)diazenyl]-5-methylbenzenesulfonic acid
Also Known As: diethyl[ azo]malonate, EINECS 283-698-1, Diethyl ((5-chloro-4-methyl-2-sulphophenyl)azo)malonate, DIETHYL [(5-CHLORO-4-METHYL-2-SULFOPHENYL)AZO]MALONATE, 4-chloro-2-[(1,3-diethoxy-1,3-dioxopropan-2-yl)diazenyl]-5-methylbenzenesulfonic acid
| Molecular Formula | C14H17ClN2O7S |
|---|---|
| Molecular Weight | 392.04 g/mol |
| LogP | 2.47362 |
| Topological Polar Surface Area | 131.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 392.0445 |
| Heavy Atoms | 25 |
| Complexity | 774.6152 |
Chemical Identifiers
| CAS Number | 84696-90-2 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)OCC)N=NC1=C(C=C(C(=C1)Cl)C)S(=O)(=O)O |
Product Overview
Diethyl ((5-chloro-4-methyl-2-sulphophenyl)azo)malonate (CAS 84696-90-2), with molecular formula C14H17ClN2O7S and molecular weight 392.04 g/mol. IUPAC: 4-chloro-2-[(1,3-diethoxy-1,3-dioxopropan-2-yl)diazenyl]-5-methylbenzenesulfonic acid.
Chemical Property Profile of Diethyl ((5-chloro-4-methyl-2-sulphophenyl)azo)malonate
Property Insights of Diethyl ((5-chloro-4-methyl-2-sulphophenyl)azo)malonate
The XLogP value of 2.47362 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl ((5-chloro-4-methyl-2-sulphophenyl)azo)malonate. The TPSA of 131.69 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl ((5-chloro-4-methyl-2-sulphophenyl)azo)malonate. Following Lipinski's Rule of Five, Diethyl ((5-chloro-4-methyl-2-sulphophenyl)azo)malonate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diethyl ((5-chloro-4-methyl-2-sulphophenyl)azo)malonate?
The CAS number of Diethyl ((5-chloro-4-methyl-2-sulphophenyl)azo)malonate is 84696-90-2.
What is the molecular formula of Diethyl ((5-chloro-4-methyl-2-sulphophenyl)azo)malonate?
The molecular formula of Diethyl ((5-chloro-4-methyl-2-sulphophenyl)azo)malonate is C14H17ClN2O7S.
What is the molecular weight of Diethyl ((5-chloro-4-methyl-2-sulphophenyl)azo)malonate?
The molecular weight of Diethyl ((5-chloro-4-methyl-2-sulphophenyl)azo)malonate is 392.04 g/mol.
Where can I buy Diethyl ((5-chloro-4-methyl-2-sulphophenyl)azo)malonate?
You can request a quote for Diethyl ((5-chloro-4-methyl-2-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 Diethyl ((5-chloro-4-methyl-2-sulphophenyl)azo)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl ((5-chloro-4-methyl-2-sulphophenyl)azo)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.