![Methyl 3-acetamido-2,5-bis[(2-nitrophenyl)sulfanyl]benzoate structure](/static/products/6091/60912-56-3.webp)
Methyl 3-acetamido-2,5-bis[(2-nitrophenyl)sulfanyl]benzoate
TL;DR: Methyl 3-acetamido-2,5-bis[(2-nitrophenyl)sulfanyl]benzoate (CAS 60912-56-3) is a chemical compound with molecular formula C22H17N3O7S2 and molecular weight 499.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-acetamido-2,5-bis[(2-nitrophenyl)sulfanyl]benzoate
Also Known As: Methyl 3-acetamido-2,5-bis[(2-nitrophenyl)sulfanyl]benzoate, methyl 3-(acetylamino)-2,5-bis(2-nitrophenylthio)benzoate, Benzoic acid, 3-(acetylamino)-2,5-bis[(2-nitrophenyl)thio]-, methyl ester, Benzoic acid,3-(acetylamino)-2,5-bis[(2-nitrophenyl)thio]-,methyl ester
| Molecular Formula | C22H17N3O7S2 |
|---|---|
| Molecular Weight | 499.05 g/mol |
| LogP | 5.5504 |
| Topological Polar Surface Area | 141.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 499.05078 |
| Heavy Atoms | 34 |
| Complexity | 1297.2399 |
Chemical Identifiers
| CAS Number | 60912-56-3 |
|---|---|
| SMILES | CC(=O)NC1=CC(=CC(=C1SC2=CC=CC=C2[N+](=O)[O-])C(=O)OC)SC3=CC=CC=C3[N+](=O)[O-] |
Product Overview
Methyl 3-acetamido-2,5-bis[(2-nitrophenyl)sulfanyl]benzoate (CAS 60912-56-3), with molecular formula C22H17N3O7S2 and molecular weight 499.05 g/mol. IUPAC: methyl 3-acetamido-2,5-bis[(2-nitrophenyl)sulfanyl]benzoate.
Chemical Property Profile of Methyl 3-acetamido-2,5-bis[(2-nitrophenyl)sulfanyl]benzoate
Property Insights of Methyl 3-acetamido-2,5-bis[(2-nitrophenyl)sulfanyl]benzoate
The XLogP value of 5.5504 indicates that Methyl 3-acetamido-2,5-bis[(2-nitrophenyl)sulfanyl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.68 Ų indicates high polarity, suggesting Methyl 3-acetamido-2,5-bis[(2-nitrophenyl)sulfanyl]benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyl 3-acetamido-2,5-bis[(2-nitrophenyl)sulfanyl]benzoate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 3-acetamido-2,5-bis[(2-nitrophenyl)sulfanyl]benzoate?
The CAS number of Methyl 3-acetamido-2,5-bis[(2-nitrophenyl)sulfanyl]benzoate is 60912-56-3.
What is the molecular formula of Methyl 3-acetamido-2,5-bis[(2-nitrophenyl)sulfanyl]benzoate?
The molecular formula of Methyl 3-acetamido-2,5-bis[(2-nitrophenyl)sulfanyl]benzoate is C22H17N3O7S2.
What is the molecular weight of Methyl 3-acetamido-2,5-bis[(2-nitrophenyl)sulfanyl]benzoate?
The molecular weight of Methyl 3-acetamido-2,5-bis[(2-nitrophenyl)sulfanyl]benzoate is 499.05 g/mol.
Where can I buy Methyl 3-acetamido-2,5-bis[(2-nitrophenyl)sulfanyl]benzoate?
You can request a quote for Methyl 3-acetamido-2,5-bis[(2-nitrophenyl)sulfanyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-acetamido-2,5-bis[(2-nitrophenyl)sulfanyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-acetamido-2,5-bis[(2-nitrophenyl)sulfanyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.