2-Nitro-4-sulfophenyl adipate
TL;DR: 2-Nitro-4-sulfophenyl adipate (CAS 143392-33-0) is a chemical compound with molecular formula C18H16N2O14S2 and molecular weight 548.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-4-[6-(2-nitro-4-sulfophenoxy)-6-oxohexanoyl]oxybenzenesulfonic acid
Also Known As: 2-Nspa, 2-Nitro-4-sulfophenyl adipate, Bis(2-nitro-4-sulfophenyl) hexanedioate, 6-(2-nitro-4-sulfophenoxy)-6-oxohexanoate, Hexanedioic acid, bis(2-nitro-4-sulfophenyl) ester
| Molecular Formula | C18H16N2O14S2 |
|---|---|
| Molecular Weight | 548.00 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 270.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 11 |
| Exact Mass | 548.0043 |
| Heavy Atoms | 36 |
| Complexity | 954.0 |
Chemical Identifiers
| CAS Number | 143392-33-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)O)[N+](=O)[O-])OC(=O)CCCCC(=O)OC2=C(C=C(C=C2)S(=O)(=O)O)[N+](=O)[O-] |
| InChIKey | KRLNEJSSUSJBSO-UHFFFAOYSA-N |
Product Overview
2-Nitro-4-sulfophenyl adipate (CAS 143392-33-0), with molecular formula C18H16N2O14S2 and molecular weight 548.00 g/mol. IUPAC: 3-nitro-4-[6-(2-nitro-4-sulfophenoxy)-6-oxohexanoyl]oxybenzenesulfonic acid.
Chemical Property Profile of 2-Nitro-4-sulfophenyl adipate
Property Insights of 2-Nitro-4-sulfophenyl adipate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitro-4-sulfophenyl adipate. The TPSA of 270.0 Ų indicates high polarity, suggesting 2-Nitro-4-sulfophenyl adipate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Nitro-4-sulfophenyl adipate has 2 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Nitro-4-sulfophenyl adipate?
The CAS number of 2-Nitro-4-sulfophenyl adipate is 143392-33-0.
What is the molecular formula of 2-Nitro-4-sulfophenyl adipate?
The molecular formula of 2-Nitro-4-sulfophenyl adipate is C18H16N2O14S2.
What is the molecular weight of 2-Nitro-4-sulfophenyl adipate?
The molecular weight of 2-Nitro-4-sulfophenyl adipate is 548.00 g/mol.
Where can I buy 2-Nitro-4-sulfophenyl adipate?
You can request a quote for 2-Nitro-4-sulfophenyl adipate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitro-4-sulfophenyl adipate?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitro-4-sulfophenyl adipate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.