RefChem:391120
TL;DR: RefChem:391120 (CAS 62622-42-8) is a chemical compound with molecular formula C31H27NO2 and molecular weight 445.2042 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(4-cyanophenyl)phenyl] 4-(4-pentylphenyl)benzoate
Also Known As: BAS 00395898, 4-Cyano-4'-biphenyl 4-pentylbiphenyl-4'-carboxylate, 4'-cyano[1,1'-biphenyl]-4-yl 4'-pentyl[1,1'-biphenyl]-4-carboxylate, 4'-cyanobiphenyl-4-yl 4'-pentylbiphenyl-4-carboxylate, [1,1'-Biphenyl]-4-carboxylic acid, 4'-pentyl-, 4'-cyano[1,1'-biphenyl]-4-yl ester
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C31H27NO2 |
| Molecular Weight | 445.2042 g/mol |
| XLogP | 8.7 |
| Topological Polar Surface Area (TPSA) | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 445.2042 Da |
| Heavy Atoms | 34 |
| Complexity | 648.0 |
| SMILES | CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N |
| InChIKey | VQODCFCSVNXBEE-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:391120
Property Insights of RefChem:391120
The XLogP value of 8.7 indicates that RefChem:391120 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, RefChem:391120 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:391120 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:391120?
The CAS number of RefChem:391120 is 62622-42-8.
What is the molecular formula of RefChem:391120?
The molecular formula of RefChem:391120 is C31H27NO2.
What is the molecular weight of RefChem:391120?
The molecular weight of RefChem:391120 is 445.2042 g/mol.
Where can I buy RefChem:391120?
You can request a quote for RefChem:391120 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:391120?
Yes, CoreyChem provides custom synthesis services for RefChem:391120 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.