1-Phenyl-1,4-butanediol
TL;DR: 1-Phenyl-1,4-butanediol (CAS 4938-53-8) is a chemical compound with molecular formula C10H14O2 and molecular weight 166.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenylbutane-1,4-diol
Also Known As: 1-phenylbutane-1,4-diol, 1-phenyl-1,4-butanediol, 4-phenyl-4-hydroxybutanol, 1-Phenyl-butane-1,4-diol, NCIOpen2_001888
| Molecular Formula | C10H14O2 |
|---|---|
| Molecular Weight | 166.10 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 166.09938 |
| Heavy Atoms | 12 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 4938-53-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CCCO)O |
| InChIKey | OKWLUBCSBVYYTC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Phenyl-1,4-butanediol (CAS 4938-53-8), with molecular formula C10H14O2 and molecular weight 166.10 g/mol. IUPAC: 1-phenylbutane-1,4-diol.
Chemical Property Profile of 1-Phenyl-1,4-butanediol
Property Insights of 1-Phenyl-1,4-butanediol
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-1,4-butanediol. With a topological polar surface area (TPSA) of 40.5 Ų, 1-Phenyl-1,4-butanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenyl-1,4-butanediol has 2 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 1-Phenyl-1,4-butanediol?
The CAS number of 1-Phenyl-1,4-butanediol is 4938-53-8.
What is the molecular formula of 1-Phenyl-1,4-butanediol?
The molecular formula of 1-Phenyl-1,4-butanediol is C10H14O2.
What is the molecular weight of 1-Phenyl-1,4-butanediol?
The molecular weight of 1-Phenyl-1,4-butanediol is 166.10 g/mol.
Where can I buy 1-Phenyl-1,4-butanediol?
You can request a quote for 1-Phenyl-1,4-butanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-1,4-butanediol?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-1,4-butanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.