埃尔曼试剂
TL;DR: 埃尔曼试剂 (CAS 69-78-3) is a chemical compound with molecular formula C14H8N2O8S2 and molecular weight 395.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
埃尔曼试剂
5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid
Also Known As: DTNB, Ellman's Reagent, 5,5'-Dithiobis(2-nitrobenzoic acid), Dithionitrobenzoic acid, Ellmans reagent
| Molecular Formula | C14H8N2O8S2 |
|---|---|
| Molecular Weight | 395.97 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 217.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.9722 |
| Heavy Atoms | 26 |
| Complexity | 528.0 |
| Melting Point | 240.0 |
Chemical Identifiers
| CAS Number | 69-78-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1SSC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O)C(=O)O)[N+](=O)[O-] |
| InChIKey | KIUMMUBSPKGMOY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
埃尔曼试剂 (CAS 69-78-3), with molecular formula C14H8N2O8S2 and molecular weight 395.97 g/mol. IUPAC: 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid.
Chemical Property Profile of 埃尔曼试剂
Property Insights of 埃尔曼试剂
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 埃尔曼试剂. The TPSA of 217.0 Ų indicates high polarity, suggesting 埃尔曼试剂 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 埃尔曼试剂 has 2 hydrogen bond donor(s) and 10 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 埃尔曼试剂?
The CAS number of 埃尔曼试剂 is 69-78-3.
What is the molecular formula of 埃尔曼试剂?
The molecular formula of 埃尔曼试剂 is C14H8N2O8S2.
What is the molecular weight of 埃尔曼试剂?
The molecular weight of 埃尔曼试剂 is 395.97 g/mol.
Where can I buy 埃尔曼试剂?
You can request a quote for 埃尔曼试剂 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 埃尔曼试剂?
Yes, KEHONG BIO provides custom synthesis services for 埃尔曼试剂 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.