![4-Chloro[1,1'-biphenyl]-2,5-dione structure](/static/products/3917/39171-11-4.webp)
4-Chloro[1,1'-biphenyl]-2,5-dione
TL;DR: 4-Chloro[1,1'-biphenyl]-2,5-dione (CAS 39171-11-4) is a chemical compound with molecular formula C12H7ClO2 and molecular weight 218.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-phenylcyclohexa-2,5-diene-1,4-dione
Also Known As: 4-Chloro[1,1'-biphenyl]-2,5-dione, 2-chloro-5-phenylbenzo-1,4-quinone, 2-chloro-5-phenylcyclohexa-2,5-diene-1,4-dione, 2-Chlor-5-phenyl-[1,4]benzochinon, 2-Chloro-5-phenyl-1,4-benzoquinone
| Molecular Formula | C12H7ClO2 |
|---|---|
| Molecular Weight | 218.01 g/mol |
| LogP | 2.3445 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.01346 |
| Heavy Atoms | 15 |
| Complexity | 483.6034 |
Chemical Identifiers
| CAS Number | 39171-11-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=O)C(=CC2=O)Cl |
Product Overview
4-Chloro[1,1'-biphenyl]-2,5-dione (CAS 39171-11-4), with molecular formula C12H7ClO2 and molecular weight 218.01 g/mol. IUPAC: 2-chloro-5-phenylcyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 4-Chloro[1,1'-biphenyl]-2,5-dione
Property Insights of 4-Chloro[1,1'-biphenyl]-2,5-dione
The XLogP value of 2.3445 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro[1,1'-biphenyl]-2,5-dione. With a topological polar surface area (TPSA) of 34.14 Ų, 4-Chloro[1,1'-biphenyl]-2,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro[1,1'-biphenyl]-2,5-dione has 0 hydrogen bond donor(s) and 2 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 4-Chloro[1,1'-biphenyl]-2,5-dione?
The CAS number of 4-Chloro[1,1'-biphenyl]-2,5-dione is 39171-11-4.
What is the molecular formula of 4-Chloro[1,1'-biphenyl]-2,5-dione?
The molecular formula of 4-Chloro[1,1'-biphenyl]-2,5-dione is C12H7ClO2.
What is the molecular weight of 4-Chloro[1,1'-biphenyl]-2,5-dione?
The molecular weight of 4-Chloro[1,1'-biphenyl]-2,5-dione is 218.01 g/mol.
Where can I buy 4-Chloro[1,1'-biphenyl]-2,5-dione?
You can request a quote for 4-Chloro[1,1'-biphenyl]-2,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro[1,1'-biphenyl]-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro[1,1'-biphenyl]-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.