![methyl 3-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}benzoate structure](/static/products/309/309274-48-4.png)
methyl 3-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}benzoate
TL;DR: methyl 3-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}benzoate (CAS 309274-48-4) is a chemical compound with molecular formula C17H15N3O3S and molecular weight 341.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]benzoate
Also Known As: methyl 3-(2-benzimidazol-2-ylthioacetylamino)benzoate, A2084/0087593, methyl 3-{[(1H-benzimidazol-2-ylthio)acetyl]amino}benzoate, methyl 3-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}benzoate, methyl 3-(2-((1H-benzo[d]imidazol-2-yl)thio)acetamido)benzoate
| Molecular Formula | C17H15N3O3S |
|---|---|
| Molecular Weight | 341.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 341.0834 |
| Heavy Atoms | 24 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 309274-48-4 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3N2 |
| InChIKey | JCXQIVKBVWIAKN-UHFFFAOYSA-N |
Product Overview
methyl 3-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}benzoate (CAS 309274-48-4), with molecular formula C17H15N3O3S and molecular weight 341.08 g/mol. IUPAC: methyl 3-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]benzoate.
Chemical Property Profile of methyl 3-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}benzoate
Property Insights of methyl 3-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}benzoate
The XLogP value of 3.1 indicates that methyl 3-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}benzoate. Following Lipinski's Rule of Five, methyl 3-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}benzoate has 2 hydrogen bond donor(s) and 5 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 3-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}benzoate?
The CAS number of methyl 3-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}benzoate is 309274-48-4.
What is the molecular formula of methyl 3-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}benzoate?
The molecular formula of methyl 3-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}benzoate is C17H15N3O3S.
What is the molecular weight of methyl 3-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}benzoate?
The molecular weight of methyl 3-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}benzoate is 341.08 g/mol.
Where can I buy methyl 3-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}benzoate?
You can request a quote for methyl 3-{[(1H-benzimidazol-2-ylsulfanyl)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 3-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.