4,4'-p-Phenylenedi-2-butanone
TL;DR: 4,4'-p-Phenylenedi-2-butanone (CAS 3506-63-6) is a chemical compound with molecular formula C14H18O2 and molecular weight 218.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(3-oxobutyl)phenyl]butan-2-one
Also Known As: 4,4'-p-phenylenedi-2-butanone, 4-[4-(3-oxobutyl)phenyl]butan-2-one, 4,4 -p-Phenylenedi(2-butanone), 4,4 -(1,4-Phenylene)bis(2-butanone), 2-Butanone, 4,4'-(1,4-phenylene)bis- (en)
| Molecular Formula | C14H18O2 |
|---|---|
| Molecular Weight | 218.13 g/mol |
| LogP | 2.7298 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 218.13068 |
| Heavy Atoms | 16 |
| Complexity | 325.82666 |
Chemical Identifiers
| CAS Number | 3506-63-6 |
|---|---|
| SMILES | CC(=O)CCC1=CC=C(C=C1)CCC(=O)C |
Product Overview
4,4'-p-Phenylenedi-2-butanone (CAS 3506-63-6), with molecular formula C14H18O2 and molecular weight 218.13 g/mol. IUPAC: 4-[4-(3-oxobutyl)phenyl]butan-2-one.
Chemical Property Profile of 4,4'-p-Phenylenedi-2-butanone
Property Insights of 4,4'-p-Phenylenedi-2-butanone
The XLogP value of 2.7298 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-p-Phenylenedi-2-butanone. With a topological polar surface area (TPSA) of 34.14 Ų, 4,4'-p-Phenylenedi-2-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4'-p-Phenylenedi-2-butanone 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 4,4'-p-Phenylenedi-2-butanone?
The CAS number of 4,4'-p-Phenylenedi-2-butanone is 3506-63-6.
What is the molecular formula of 4,4'-p-Phenylenedi-2-butanone?
The molecular formula of 4,4'-p-Phenylenedi-2-butanone is C14H18O2.
What is the molecular weight of 4,4'-p-Phenylenedi-2-butanone?
The molecular weight of 4,4'-p-Phenylenedi-2-butanone is 218.13 g/mol.
Where can I buy 4,4'-p-Phenylenedi-2-butanone?
You can request a quote for 4,4'-p-Phenylenedi-2-butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-p-Phenylenedi-2-butanone?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-p-Phenylenedi-2-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.