Oxepan-2-one--4,4'-(propane-2,2-diyl)diphenol (1/1)
TL;DR: Oxepan-2-one--4,4'-(propane-2,2-diyl)diphenol (1/1) (CAS 52609-48-0) is a chemical compound with molecular formula C21H26O4 and molecular weight 342.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;oxepan-2-one
Also Known As: (C15-H16-O2.C6-H10-O2)x-, epsilon-Caprolactone, 2,2-bis(4-hydroxyphenyl)propane polymer, 2-Oxepanone, polymer with 4,4'-(1-methylethylidene)bis[phenol], 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; oxepan-2-one, Oxepan-2-one--4,4'-(propane-2,2-diyl)diphenol (1/1)
| Molecular Formula | C21H26O4 |
|---|---|
| Molecular Weight | 342.18 g/mol |
| LogP | 4.5273 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 342.1831 |
| Heavy Atoms | 25 |
| Complexity | 614.5472 |
Chemical Identifiers
| CAS Number | 52609-48-0 |
|---|---|
| SMILES | CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O.C1CCC(=O)OCC1 |
Product Overview
Oxepan-2-one--4,4'-(propane-2,2-diyl)diphenol (1/1) (CAS 52609-48-0), with molecular formula C21H26O4 and molecular weight 342.18 g/mol. IUPAC: 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;oxepan-2-one.
Chemical Property Profile of Oxepan-2-one--4,4'-(propane-2,2-diyl)diphenol (1/1)
Property Insights of Oxepan-2-one--4,4'-(propane-2,2-diyl)diphenol (1/1)
The XLogP value of 4.5273 indicates that Oxepan-2-one--4,4'-(propane-2,2-diyl)diphenol (1/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxepan-2-one--4,4'-(propane-2,2-diyl)diphenol (1/1). Following Lipinski's Rule of Five, Oxepan-2-one--4,4'-(propane-2,2-diyl)diphenol (1/1) has 2 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 Oxepan-2-one--4,4'-(propane-2,2-diyl)diphenol (1/1)?
The CAS number of Oxepan-2-one--4,4'-(propane-2,2-diyl)diphenol (1/1) is 52609-48-0.
What is the molecular formula of Oxepan-2-one--4,4'-(propane-2,2-diyl)diphenol (1/1)?
The molecular formula of Oxepan-2-one--4,4'-(propane-2,2-diyl)diphenol (1/1) is C21H26O4.
What is the molecular weight of Oxepan-2-one--4,4'-(propane-2,2-diyl)diphenol (1/1)?
The molecular weight of Oxepan-2-one--4,4'-(propane-2,2-diyl)diphenol (1/1) is 342.18 g/mol.
Where can I buy Oxepan-2-one--4,4'-(propane-2,2-diyl)diphenol (1/1)?
You can request a quote for Oxepan-2-one--4,4'-(propane-2,2-diyl)diphenol (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxepan-2-one--4,4'-(propane-2,2-diyl)diphenol (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Oxepan-2-one--4,4'-(propane-2,2-diyl)diphenol (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.