![methyl 4-[[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]carbamoyl]benzoate structure](/static/products/878/878415-59-9.png)
methyl 4-[[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]carbamoyl]benzoate
TL;DR: methyl 4-[[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]carbamoyl]benzoate (CAS 878415-59-9) is a chemical compound with molecular formula C22H24N4O3 and molecular weight 392.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]carbamoyl]benzoate
Also Known As: ENL/AF9-IN-1, EX-A9554, BAS 12893236, XS 018661, Ethyl 3-bromo-2-fluoro-5-(trifluoromethyl)benzoate
| Molecular Formula | C22H24N4O3 |
|---|---|
| Molecular Weight | 392.18 g/mol |
| LogP | 3.5877 |
| Topological Polar Surface Area | 87.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.18484 |
| Heavy Atoms | 29 |
| Complexity | 1020.2183 |
Chemical Identifiers
| CAS Number | 878415-59-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(N3)CN4CCCCC4 |
Product Overview
methyl 4-[[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]carbamoyl]benzoate (CAS 878415-59-9), with molecular formula C22H24N4O3 and molecular weight 392.18 g/mol. IUPAC: methyl 4-[[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]carbamoyl]benzoate.
Chemical Property Profile of methyl 4-[[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]carbamoyl]benzoate
Property Insights of methyl 4-[[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]carbamoyl]benzoate
The XLogP value of 3.5877 indicates that methyl 4-[[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]carbamoyl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.32 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]carbamoyl]benzoate. Following Lipinski's Rule of Five, methyl 4-[[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]carbamoyl]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-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]carbamoyl]benzoate?
The CAS number of methyl 4-[[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]carbamoyl]benzoate is 878415-59-9.
What is the molecular formula of methyl 4-[[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]carbamoyl]benzoate?
The molecular formula of methyl 4-[[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]carbamoyl]benzoate is C22H24N4O3.
What is the molecular weight of methyl 4-[[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]carbamoyl]benzoate?
The molecular weight of methyl 4-[[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]carbamoyl]benzoate is 392.18 g/mol.
Where can I buy methyl 4-[[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]carbamoyl]benzoate?
You can request a quote for methyl 4-[[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]carbamoyl]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-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]carbamoyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]carbamoyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.