4,4'-Oxybis(alpha-methylbenzenemethanol)
TL;DR: 4,4'-Oxybis(alpha-methylbenzenemethanol) (CAS 5757-85-7) is a chemical compound with molecular formula C16H18O3 and molecular weight 258.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[4-(1-hydroxyethyl)phenoxy]phenyl]ethanol
Also Known As: ChemDiv3_000331, 1-[4-[4-(1-hydroxyethyl)phenoxy]phenyl]ethanol, 4,4'-Dithiobisphenylacetic Acid, 1,1'-(oxydibenzene-4,1-diyl)diethanol, KST-1B5794
| Molecular Formula | C16H18O3 |
|---|---|
| Molecular Weight | 258.13 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.12558 |
| Heavy Atoms | 19 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 5757-85-7 |
|---|---|
| SMILES | CC(C1=CC=C(C=C1)OC2=CC=C(C=C2)C(C)O)O |
| InChIKey | NKDKJEOJMQSDNA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4'-Oxybis(alpha-methylbenzenemethanol) (CAS 5757-85-7), with molecular formula C16H18O3 and molecular weight 258.13 g/mol. IUPAC: 1-[4-[4-(1-hydroxyethyl)phenoxy]phenyl]ethanol.
Chemical Property Profile of 4,4'-Oxybis(alpha-methylbenzenemethanol)
Property Insights of 4,4'-Oxybis(alpha-methylbenzenemethanol)
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-Oxybis(alpha-methylbenzenemethanol). With a topological polar surface area (TPSA) of 49.7 Ų, 4,4'-Oxybis(alpha-methylbenzenemethanol) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4'-Oxybis(alpha-methylbenzenemethanol) has 2 hydrogen bond donor(s) and 3 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'-Oxybis(alpha-methylbenzenemethanol)?
The CAS number of 4,4'-Oxybis(alpha-methylbenzenemethanol) is 5757-85-7.
What is the molecular formula of 4,4'-Oxybis(alpha-methylbenzenemethanol)?
The molecular formula of 4,4'-Oxybis(alpha-methylbenzenemethanol) is C16H18O3.
What is the molecular weight of 4,4'-Oxybis(alpha-methylbenzenemethanol)?
The molecular weight of 4,4'-Oxybis(alpha-methylbenzenemethanol) is 258.13 g/mol.
Where can I buy 4,4'-Oxybis(alpha-methylbenzenemethanol)?
You can request a quote for 4,4'-Oxybis(alpha-methylbenzenemethanol) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Oxybis(alpha-methylbenzenemethanol)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Oxybis(alpha-methylbenzenemethanol) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.