Exp 9654
TL;DR: Exp 9654 (CAS 129722-03-8) is a chemical compound with molecular formula C22H19ClN2O3 and molecular weight 394.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(2-but-1-enyl-4-chloro-5-formylimidazol-1-yl)methyl]phenyl]benzoic acid
Also Known As: Exp 9654, [1,1'-Biphenyl]-2-carboxylicacid, 4'-[[2-(1-buten-1-yl)-4-chloro-5-formyl-1H-imidazol-1-yl]methyl]-, 2-[4-[(2-But-1-enyl-4-chloro-5-formylimidazol-1-yl)methyl]phenyl]benzoic acid, 4'-((2-(1-Butenyl)-4-chloro-5-formyl-1H-imidazol-1-yl)methyl)-(1,1'-biphenyl)-2-carboxylic acid
| Molecular Formula | C22H19ClN2O3 |
|---|---|
| Molecular Weight | 394.11 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 72.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 394.10843 |
| Heavy Atoms | 28 |
| Complexity | 562.0 |
Chemical Identifiers
| CAS Number | 129722-03-8 |
|---|---|
| SMILES | CCC=CC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C=O)Cl |
| InChIKey | AMVRXQXLMVPAGT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Exp 9654 (CAS 129722-03-8), with molecular formula C22H19ClN2O3 and molecular weight 394.11 g/mol. IUPAC: 2-[4-[(2-but-1-enyl-4-chloro-5-formylimidazol-1-yl)methyl]phenyl]benzoic acid.
Chemical Property Profile of Exp 9654
Property Insights of Exp 9654
The XLogP value of 5.0 indicates that Exp 9654 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Exp 9654. Following Lipinski's Rule of Five, Exp 9654 has 1 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 9654?
The CAS number of Exp 9654 is 129722-03-8.
What is the molecular formula of Exp 9654?
The molecular formula of Exp 9654 is C22H19ClN2O3.
What is the molecular weight of Exp 9654?
The molecular weight of Exp 9654 is 394.11 g/mol.
Where can I buy Exp 9654?
You can request a quote for Exp 9654 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Exp 9654?
Yes, KEHONG BIO provides custom synthesis services for Exp 9654 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.