![ethyl 4-{[2-(1H-benzimidazol-2-ylsulfanyl)butanoyl]amino}benzoate structure](/static/products/7130/713080-80-9.webp)
ethyl 4-{[2-(1H-benzimidazol-2-ylsulfanyl)butanoyl]amino}benzoate
TL;DR: ethyl 4-{[2-(1H-benzimidazol-2-ylsulfanyl)butanoyl]amino}benzoate (CAS 713080-80-9) is a chemical compound with molecular formula C20H21N3O3S and molecular weight 383.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-(1H-benzimidazol-2-ylsulfanyl)butanoylamino]benzoate
Also Known As: ethyl 4-(2-benzimidazol-2-ylthiobutanoylamino)benzoate, ethyl 4-(2-((1H-benzo[d]imidazol-2-yl)thio)butanamido)benzoate, ethyl 4-[2-(1H-benzimidazol-2-ylsulfanyl)butanoylamino]benzoate, ethyl 4-{[2-(1H-benzimidazol-2-ylsulfanyl)butanoyl]amino}benzoate, ETHYL 4-[2-(1H-1,3-BENZODIAZOL-2-YLSULFANYL)BUTANAMIDO]BENZOATE
| Molecular Formula | C20H21N3O3S |
|---|---|
| Molecular Weight | 383.13 g/mol |
| LogP | 4.249 |
| Topological Polar Surface Area | 84.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 383.13037 |
| Heavy Atoms | 27 |
| Complexity | 904.05475 |
Chemical Identifiers
| CAS Number | 713080-80-9 |
|---|---|
| SMILES | CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=NC3=CC=CC=C3N2 |
Product Overview
ethyl 4-{[2-(1H-benzimidazol-2-ylsulfanyl)butanoyl]amino}benzoate (CAS 713080-80-9), with molecular formula C20H21N3O3S and molecular weight 383.13 g/mol. IUPAC: ethyl 4-[2-(1H-benzimidazol-2-ylsulfanyl)butanoylamino]benzoate.
Chemical Property Profile of ethyl 4-{[2-(1H-benzimidazol-2-ylsulfanyl)butanoyl]amino}benzoate
Property Insights of ethyl 4-{[2-(1H-benzimidazol-2-ylsulfanyl)butanoyl]amino}benzoate
The XLogP value of 4.249 indicates that ethyl 4-{[2-(1H-benzimidazol-2-ylsulfanyl)butanoyl]amino}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 ethyl 4-{[2-(1H-benzimidazol-2-ylsulfanyl)butanoyl]amino}benzoate. Following Lipinski's Rule of Five, ethyl 4-{[2-(1H-benzimidazol-2-ylsulfanyl)butanoyl]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 ethyl 4-{[2-(1H-benzimidazol-2-ylsulfanyl)butanoyl]amino}benzoate?
The CAS number of ethyl 4-{[2-(1H-benzimidazol-2-ylsulfanyl)butanoyl]amino}benzoate is 713080-80-9.
What is the molecular formula of ethyl 4-{[2-(1H-benzimidazol-2-ylsulfanyl)butanoyl]amino}benzoate?
The molecular formula of ethyl 4-{[2-(1H-benzimidazol-2-ylsulfanyl)butanoyl]amino}benzoate is C20H21N3O3S.
What is the molecular weight of ethyl 4-{[2-(1H-benzimidazol-2-ylsulfanyl)butanoyl]amino}benzoate?
The molecular weight of ethyl 4-{[2-(1H-benzimidazol-2-ylsulfanyl)butanoyl]amino}benzoate is 383.13 g/mol.
Where can I buy ethyl 4-{[2-(1H-benzimidazol-2-ylsulfanyl)butanoyl]amino}benzoate?
You can request a quote for ethyl 4-{[2-(1H-benzimidazol-2-ylsulfanyl)butanoyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-{[2-(1H-benzimidazol-2-ylsulfanyl)butanoyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-{[2-(1H-benzimidazol-2-ylsulfanyl)butanoyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.