![methyl 2-({[(5-nitro-1H-benzimidazol-2-yl)thio]acetyl}amino)benzoate structure](/static/products/694/694474-20-9.png)
methyl 2-({[(5-nitro-1H-benzimidazol-2-yl)thio]acetyl}amino)benzoate
TL;DR: methyl 2-({[(5-nitro-1H-benzimidazol-2-yl)thio]acetyl}amino)benzoate (CAS 694474-20-9) is a chemical compound with molecular formula C17H14N4O5S and molecular weight 386.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: methyl 2-({[(5-nitro-1H-benzimidazol-2-yl)thio]acetyl}amino)benzoate, methyl 2-({[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl}amino)benzoate, methyl 2-(2-((5-nitro-1H-benzo[d]imidazol-2-yl)thio)acetamido)benzoate, methyl 2-[[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoate, METHYL 2-({2-[(5-NITRO-1H-1,3-BENZIMIDAZOL-2-YL)SULFANYL]ACETYL}AMINO)BENZOATE
| Molecular Formula | C17H14N4O5S |
|---|---|
| Molecular Weight | 386.07 g/mol |
| LogP | 2.9885 |
| Topological Polar Surface Area | 127.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 386.06848 |
| Heavy Atoms | 27 |
| Complexity | 1033.0906 |
Chemical Identifiers
| CAS Number | 694474-20-9 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-] |
Product Overview
methyl 2-({[(5-nitro-1H-benzimidazol-2-yl)thio]acetyl}amino)benzoate (CAS 694474-20-9), with molecular formula C17H14N4O5S and molecular weight 386.07 g/mol. IUPAC: methyl 2-[[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of methyl 2-({[(5-nitro-1H-benzimidazol-2-yl)thio]acetyl}amino)benzoate
Property Insights of methyl 2-({[(5-nitro-1H-benzimidazol-2-yl)thio]acetyl}amino)benzoate
The XLogP value of 2.9885 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-({[(5-nitro-1H-benzimidazol-2-yl)thio]acetyl}amino)benzoate. The TPSA of 127.22 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-({[(5-nitro-1H-benzimidazol-2-yl)thio]acetyl}amino)benzoate. Following Lipinski's Rule of Five, methyl 2-({[(5-nitro-1H-benzimidazol-2-yl)thio]acetyl}amino)benzoate has 2 hydrogen bond donor(s) and 7 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 methyl 2-({[(5-nitro-1H-benzimidazol-2-yl)thio]acetyl}amino)benzoate?
The CAS number of methyl 2-({[(5-nitro-1H-benzimidazol-2-yl)thio]acetyl}amino)benzoate is 694474-20-9.
What is the molecular formula of methyl 2-({[(5-nitro-1H-benzimidazol-2-yl)thio]acetyl}amino)benzoate?
The molecular formula of methyl 2-({[(5-nitro-1H-benzimidazol-2-yl)thio]acetyl}amino)benzoate is C17H14N4O5S.
What is the molecular weight of methyl 2-({[(5-nitro-1H-benzimidazol-2-yl)thio]acetyl}amino)benzoate?
The molecular weight of methyl 2-({[(5-nitro-1H-benzimidazol-2-yl)thio]acetyl}amino)benzoate is 386.07 g/mol.
Where can I buy methyl 2-({[(5-nitro-1H-benzimidazol-2-yl)thio]acetyl}amino)benzoate?
You can request a quote for methyl 2-({[(5-nitro-1H-benzimidazol-2-yl)thio]acetyl}amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-({[(5-nitro-1H-benzimidazol-2-yl)thio]acetyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-({[(5-nitro-1H-benzimidazol-2-yl)thio]acetyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.