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Ethyl 4-{[2-(1-piperidinylmethyl)-1H-benzimidazol-1-yl]sulfonyl}benzoate
TL;DR: Ethyl 4-{[2-(1-piperidinylmethyl)-1H-benzimidazol-1-yl]sulfonyl}benzoate (CAS 606114-49-2) is a chemical compound with molecular formula C22H25N3O4S and molecular weight 427.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]sulfonylbenzoate
Also Known As: ASN 06264438, 4-(2-Piperidin-1-ylmethyl-benzoimidazole-1-sulfonyl)-benzoic acid ethyl ester, Ethyl 4-{[2-(1-piperidinylmethyl)-1H-benzimidazol-1-yl]sulfo, Ethyl 4-{[2-(1-piperidinylmethyl)-1H-benzimidazol-1-yl]sulfonyl}benzoate, Benzoicacid,4-[[2- -1H-benzimidazol-1-yl]sulfonyl]-,ethylester
| Molecular Formula | C22H25N3O4S |
|---|---|
| Molecular Weight | 427.16 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 427.1566 |
| Heavy Atoms | 30 |
| Complexity | 681.0 |
Chemical Identifiers
| CAS Number | 606114-49-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=C2CN4CCCCC4 |
| InChIKey | KURDVQDHYKTQIA-UHFFFAOYSA-N |
Product Overview
Ethyl 4-{[2-(1-piperidinylmethyl)-1H-benzimidazol-1-yl]sulfonyl}benzoate (CAS 606114-49-2), with molecular formula C22H25N3O4S and molecular weight 427.16 g/mol. IUPAC: ethyl 4-[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]sulfonylbenzoate.
Chemical Property Profile of Ethyl 4-{[2-(1-piperidinylmethyl)-1H-benzimidazol-1-yl]sulfonyl}benzoate
Property Insights of Ethyl 4-{[2-(1-piperidinylmethyl)-1H-benzimidazol-1-yl]sulfonyl}benzoate
The XLogP value of 3.6 indicates that Ethyl 4-{[2-(1-piperidinylmethyl)-1H-benzimidazol-1-yl]sulfonyl}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-{[2-(1-piperidinylmethyl)-1H-benzimidazol-1-yl]sulfonyl}benzoate. Following Lipinski's Rule of Five, Ethyl 4-{[2-(1-piperidinylmethyl)-1H-benzimidazol-1-yl]sulfonyl}benzoate has 0 hydrogen bond donor(s) and 6 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-(1-piperidinylmethyl)-1H-benzimidazol-1-yl]sulfonyl}benzoate?
The CAS number of Ethyl 4-{[2-(1-piperidinylmethyl)-1H-benzimidazol-1-yl]sulfonyl}benzoate is 606114-49-2.
What is the molecular formula of Ethyl 4-{[2-(1-piperidinylmethyl)-1H-benzimidazol-1-yl]sulfonyl}benzoate?
The molecular formula of Ethyl 4-{[2-(1-piperidinylmethyl)-1H-benzimidazol-1-yl]sulfonyl}benzoate is C22H25N3O4S.
What is the molecular weight of Ethyl 4-{[2-(1-piperidinylmethyl)-1H-benzimidazol-1-yl]sulfonyl}benzoate?
The molecular weight of Ethyl 4-{[2-(1-piperidinylmethyl)-1H-benzimidazol-1-yl]sulfonyl}benzoate is 427.16 g/mol.
Where can I buy Ethyl 4-{[2-(1-piperidinylmethyl)-1H-benzimidazol-1-yl]sulfonyl}benzoate?
You can request a quote for Ethyl 4-{[2-(1-piperidinylmethyl)-1H-benzimidazol-1-yl]sulfonyl}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-(1-piperidinylmethyl)-1H-benzimidazol-1-yl]sulfonyl}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{[2-(1-piperidinylmethyl)-1H-benzimidazol-1-yl]sulfonyl}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.