![ethyl 4-{[2-(1H-benzimidazol-2-ylsulfanyl)propanoyl]amino}benzoate structure](/static/products/7090/709000-20-4.webp)
ethyl 4-{[2-(1H-benzimidazol-2-ylsulfanyl)propanoyl]amino}benzoate
TL;DR: ethyl 4-{[2-(1H-benzimidazol-2-ylsulfanyl)propanoyl]amino}benzoate (CAS 709000-20-4) is a chemical compound with molecular formula C19H19N3O3S and molecular weight 369.11 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)propanoylamino]benzoate
Also Known As: CBKinase1_007703, CBKinase1_020103, BRD-A31393817-001-01-0, ethyl 4-(2-benzimidazol-2-ylthiopropanoylamino)benzoate, ethyl 4-{[2-(1H-benzimidazol-2-ylsulfanyl)propanoyl]amino}benzoate
| Molecular Formula | C19H19N3O3S |
|---|---|
| Molecular Weight | 369.11 g/mol |
| LogP | 3.8589 |
| Topological Polar Surface Area | 84.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 369.11472 |
| Heavy Atoms | 26 |
| Complexity | 888.18384 |
Chemical Identifiers
| CAS Number | 709000-20-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=NC3=CC=CC=C3N2 |
Product Overview
ethyl 4-{[2-(1H-benzimidazol-2-ylsulfanyl)propanoyl]amino}benzoate (CAS 709000-20-4), with molecular formula C19H19N3O3S and molecular weight 369.11 g/mol. IUPAC: ethyl 4-[2-(1H-benzimidazol-2-ylsulfanyl)propanoylamino]benzoate.
Chemical Property Profile of ethyl 4-{[2-(1H-benzimidazol-2-ylsulfanyl)propanoyl]amino}benzoate
Property Insights of ethyl 4-{[2-(1H-benzimidazol-2-ylsulfanyl)propanoyl]amino}benzoate
The XLogP value of 3.8589 indicates that ethyl 4-{[2-(1H-benzimidazol-2-ylsulfanyl)propanoyl]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)propanoyl]amino}benzoate. Following Lipinski's Rule of Five, ethyl 4-{[2-(1H-benzimidazol-2-ylsulfanyl)propanoyl]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)propanoyl]amino}benzoate?
The CAS number of ethyl 4-{[2-(1H-benzimidazol-2-ylsulfanyl)propanoyl]amino}benzoate is 709000-20-4.
What is the molecular formula of ethyl 4-{[2-(1H-benzimidazol-2-ylsulfanyl)propanoyl]amino}benzoate?
The molecular formula of ethyl 4-{[2-(1H-benzimidazol-2-ylsulfanyl)propanoyl]amino}benzoate is C19H19N3O3S.
What is the molecular weight of ethyl 4-{[2-(1H-benzimidazol-2-ylsulfanyl)propanoyl]amino}benzoate?
The molecular weight of ethyl 4-{[2-(1H-benzimidazol-2-ylsulfanyl)propanoyl]amino}benzoate is 369.11 g/mol.
Where can I buy ethyl 4-{[2-(1H-benzimidazol-2-ylsulfanyl)propanoyl]amino}benzoate?
You can request a quote for ethyl 4-{[2-(1H-benzimidazol-2-ylsulfanyl)propanoyl]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)propanoyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-{[2-(1H-benzimidazol-2-ylsulfanyl)propanoyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.