![methyl 4-[2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetamido]benzoate structure](/static/products/3459/345988-72-9.webp)
methyl 4-[2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetamido]benzoate
TL;DR: methyl 4-[2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetamido]benzoate (CAS 345988-72-9) 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 4-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]benzoate
Also Known As: BAS 00631839, methyl 4-[2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetamido]benzoate, F0911-1748, methyl 4-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]benzoate, methyl 4-(2-benzimidazol-2-ylthioacetylamino)benzoate
| Molecular Formula | C17H15N3O3S |
|---|---|
| Molecular Weight | 341.08 g/mol |
| LogP | 3.0803 |
| Topological Polar Surface Area | 84.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.0834 |
| Heavy Atoms | 24 |
| Complexity | 841.178 |
Chemical Identifiers
| CAS Number | 345988-72-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N2 |
Product Overview
methyl 4-[2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetamido]benzoate (CAS 345988-72-9), with molecular formula C17H15N3O3S and molecular weight 341.08 g/mol. IUPAC: methyl 4-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]benzoate.
Chemical Property Profile of methyl 4-[2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetamido]benzoate
Property Insights of methyl 4-[2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetamido]benzoate
The XLogP value of 3.0803 indicates that methyl 4-[2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetamido]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.08 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetamido]benzoate. Following Lipinski's Rule of Five, methyl 4-[2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetamido]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 4-[2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetamido]benzoate?
The CAS number of methyl 4-[2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetamido]benzoate is 345988-72-9.
What is the molecular formula of methyl 4-[2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetamido]benzoate?
The molecular formula of methyl 4-[2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetamido]benzoate is C17H15N3O3S.
What is the molecular weight of methyl 4-[2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetamido]benzoate?
The molecular weight of methyl 4-[2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetamido]benzoate is 341.08 g/mol.
Where can I buy methyl 4-[2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetamido]benzoate?
You can request a quote for methyl 4-[2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetamido]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-[2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetamido]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetamido]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.