Phenolate
TL;DR: Phenolate (CAS 3229-70-7) is a chemical compound with molecular formula C6H5O- and molecular weight 93.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenoxide
Also Known As: phenolate, phenoxide, Phenol ion, phenoxide anion, Phenoxy ion
| Molecular Formula | C6H5O- |
|---|---|
| Molecular Weight | 93.03 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 23.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 93.03404 |
| Heavy Atoms | 7 |
| Complexity | 46.0 |
Chemical Identifiers
| CAS Number | 3229-70-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)[O-] |
| InChIKey | ISWSIDIOOBJBQZ-UHFFFAOYSA-M |
Product Overview
Phenolate (CAS 3229-70-7), with molecular formula C6H5O- and molecular weight 93.03 g/mol. IUPAC: phenoxide.
Chemical Property Profile of Phenolate
Property Insights of Phenolate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenolate. With a topological polar surface area (TPSA) of 23.1 Ų, Phenolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenolate has 0 hydrogen bond donor(s) and 1 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 Phenolate?
The CAS number of Phenolate is 3229-70-7.
What is the molecular formula of Phenolate?
The molecular formula of Phenolate is C6H5O-.
What is the molecular weight of Phenolate?
The molecular weight of Phenolate is 93.03 g/mol.
Where can I buy Phenolate?
You can request a quote for Phenolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenolate?
Yes, KEHONG BIO provides custom synthesis services for Phenolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.