1,1-Bis(4-(3-chloropropionyloxyphenyl))-2-phenylbut-1-ene
TL;DR: 1,1-Bis(4-(3-chloropropionyloxyphenyl))-2-phenylbut-1-ene (CAS 110008-58-7) is a chemical compound with molecular formula C28H26Cl2O4 and molecular weight 496.12082 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[1-[4-(3-chloropropanoyloxy)phenyl]-2-phenylbut-1-enyl]phenyl] 3-chloropropanoate
Also Known As: 1,1-Bcppbe, 1,1-Bis(4-(3-chloropropionyloxyphenyl))-2-phenylbut-1-ene, [4-[1-[4-(3-chloropropanoyloxy)phenyl]-2-phenylbut-1-enyl]phenyl] 3-chloropropanoate, (2-Phenylbut-1-ene-1,1-diyl)di(4,1-phenylene) bis(3-chloropropanoate), Propanoic acid, 3-chloro-, (2-phenyl-1-butenylidene)di-4,1-phenylene ester
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C28H26Cl2O4 |
| Molecular Weight | 496.12082 g/mol |
| XLogP | 7.7 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 496.12082 Da |
| Heavy Atoms | 34 |
| Complexity | 628.0 |
| SMILES | CCC(=C(C1=CC=C(C=C1)OC(=O)CCCl)C2=CC=C(C=C2)OC(=O)CCCl)C3=CC=CC=C3 |
| InChIKey | MMPVLYZMHSBLKY-UHFFFAOYSA-N |
Chemical Property Profile of 1,1-Bis(4-(3-chloropropionyloxyphenyl))-2-phenylbut-1-ene
Property Insights of 1,1-Bis(4-(3-chloropropionyloxyphenyl))-2-phenylbut-1-ene
The XLogP value of 7.7 indicates that 1,1-Bis(4-(3-chloropropionyloxyphenyl))-2-phenylbut-1-ene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1,1-Bis(4-(3-chloropropionyloxyphenyl))-2-phenylbut-1-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Bis(4-(3-chloropropionyloxyphenyl))-2-phenylbut-1-ene has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1,1-Bis(4-(3-chloropropionyloxyphenyl))-2-phenylbut-1-ene?
The CAS number of 1,1-Bis(4-(3-chloropropionyloxyphenyl))-2-phenylbut-1-ene is 110008-58-7.
What is the molecular formula of 1,1-Bis(4-(3-chloropropionyloxyphenyl))-2-phenylbut-1-ene?
The molecular formula of 1,1-Bis(4-(3-chloropropionyloxyphenyl))-2-phenylbut-1-ene is C28H26Cl2O4.
What is the molecular weight of 1,1-Bis(4-(3-chloropropionyloxyphenyl))-2-phenylbut-1-ene?
The molecular weight of 1,1-Bis(4-(3-chloropropionyloxyphenyl))-2-phenylbut-1-ene is 496.12082 g/mol.
Where can I buy 1,1-Bis(4-(3-chloropropionyloxyphenyl))-2-phenylbut-1-ene?
You can request a quote for 1,1-Bis(4-(3-chloropropionyloxyphenyl))-2-phenylbut-1-ene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,1-Bis(4-(3-chloropropionyloxyphenyl))-2-phenylbut-1-ene?
Yes, CoreyChem provides custom synthesis services for 1,1-Bis(4-(3-chloropropionyloxyphenyl))-2-phenylbut-1-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.