Exp 7711
TL;DR: Exp 7711 (CAS 114798-27-5) is a chemical compound with molecular formula C22H23ClN2O3 and molecular weight 398.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid
Also Known As: Exp 7711, 4'-Imi, SC 48742, 4'-((2-Butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl)methyl)-(1,1'-biphenyl)-2-carboxylic acid, 2-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methy
| Molecular Formula | C22H23ClN2O3 |
|---|---|
| Molecular Weight | 398.14 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 398.1397 |
| Heavy Atoms | 28 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 114798-27-5 |
|---|---|
| SMILES | CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CO)Cl |
| InChIKey | UUPNFNCKGJOLQE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Exp 7711 (CAS 114798-27-5), with molecular formula C22H23ClN2O3 and molecular weight 398.14 g/mol. IUPAC: 2-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid.
Chemical Property Profile of Exp 7711
Property Insights of Exp 7711
The XLogP value of 4.6 indicates that Exp 7711 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Exp 7711. Following Lipinski's Rule of Five, Exp 7711 has 2 hydrogen bond donor(s) and 4 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 Exp 7711?
The CAS number of Exp 7711 is 114798-27-5.
What is the molecular formula of Exp 7711?
The molecular formula of Exp 7711 is C22H23ClN2O3.
What is the molecular weight of Exp 7711?
The molecular weight of Exp 7711 is 398.14 g/mol.
Where can I buy Exp 7711?
You can request a quote for Exp 7711 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Exp 7711?
Yes, KEHONG BIO provides custom synthesis services for Exp 7711 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.