Benzoic acid, 2-hydroxy-5-(1-hydroxy-2-(4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinyl)ethyl)-, methyl ester
TL;DR: Benzoic acid, 2-hydroxy-5-(1-hydroxy-2-(4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinyl)ethyl)-, methyl ester (CAS 74406-01-2) is a chemical compound with molecular formula C22H25N3O5 and molecular weight 411.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-hydroxy-5-[1-hydroxy-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzoate
Also Known As: Benzoic acid, 2-hydroxy-5-(1-hydroxy-2-(4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinyl)ethyl)-, methyl ester, methyl 2-hydroxy-5-[1-hydroxy-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzoate, Methyl 2-hydroxy-5-[1-hydroxy-2-[4-(2-oxo-3H-benzoimidazol-1-yl)-1-piperidyl]ethyl]benzoate, Methyl 2-hydroxy-5-{1-hydroxy-2-[4-(2-hydroxy-1H-1,3-benzimidazol-1-yl)piperidin-1-yl]ethyl}benzoate, Methyl 2-hydroxy-5-{1-hydroxy-2-[4-(2-hydroxy-1H-benzimidazol-1-yl)piperidin-1-yl]ethyl}benzoate
| Molecular Formula | C22H25N3O5 |
|---|---|
| Molecular Weight | 411.18 g/mol |
| LogP | 2.1923 |
| Topological Polar Surface Area | 107.79 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.1794 |
| Heavy Atoms | 30 |
| Complexity | 1111.4037 |
Chemical Identifiers
| CAS Number | 74406-01-2 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC(=C1)C(CN2CCC(CC2)N3C4=CC=CC=C4NC3=O)O)O |
Product Overview
Benzoic acid, 2-hydroxy-5-(1-hydroxy-2-(4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinyl)ethyl)-, methyl ester (CAS 74406-01-2), with molecular formula C22H25N3O5 and molecular weight 411.18 g/mol. IUPAC: methyl 2-hydroxy-5-[1-hydroxy-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzoate.
Chemical Property Profile of Benzoic acid, 2-hydroxy-5-(1-hydroxy-2-(4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinyl)ethyl)-, methyl ester
Property Insights of Benzoic acid, 2-hydroxy-5-(1-hydroxy-2-(4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinyl)ethyl)-, methyl ester
The XLogP value of 2.1923 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-hydroxy-5-(1-hydroxy-2-(4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinyl)ethyl)-, methyl ester. The TPSA of 107.79 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-hydroxy-5-(1-hydroxy-2-(4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinyl)ethyl)-, methyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-hydroxy-5-(1-hydroxy-2-(4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinyl)ethyl)-, methyl ester has 3 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 Benzoic acid, 2-hydroxy-5-(1-hydroxy-2-(4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinyl)ethyl)-, methyl ester?
The CAS number of Benzoic acid, 2-hydroxy-5-(1-hydroxy-2-(4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinyl)ethyl)-, methyl ester is 74406-01-2.
What is the molecular formula of Benzoic acid, 2-hydroxy-5-(1-hydroxy-2-(4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinyl)ethyl)-, methyl ester?
The molecular formula of Benzoic acid, 2-hydroxy-5-(1-hydroxy-2-(4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinyl)ethyl)-, methyl ester is C22H25N3O5.
What is the molecular weight of Benzoic acid, 2-hydroxy-5-(1-hydroxy-2-(4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinyl)ethyl)-, methyl ester?
The molecular weight of Benzoic acid, 2-hydroxy-5-(1-hydroxy-2-(4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinyl)ethyl)-, methyl ester is 411.18 g/mol.
Where can I buy Benzoic acid, 2-hydroxy-5-(1-hydroxy-2-(4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinyl)ethyl)-, methyl ester?
You can request a quote for Benzoic acid, 2-hydroxy-5-(1-hydroxy-2-(4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinyl)ethyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-hydroxy-5-(1-hydroxy-2-(4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinyl)ethyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-hydroxy-5-(1-hydroxy-2-(4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinyl)ethyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.