酚丁
TL;DR: 酚丁 (CAS 125-13-3) is a chemical compound with molecular formula C20H15NO3 and molecular weight 317.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
酚丁
3,3-bis(4-hydroxyphenyl)-1H-indol-2-one
Also Known As: Oxyphenisatine, Oxyphenisatin, Phenolisatin, Veripaque, Propellax
| Molecular Formula | C20H15NO3 |
|---|---|
| Molecular Weight | 317.11 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 317.1052 |
| Heavy Atoms | 24 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 125-13-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(C(=O)N2)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O |
| InChIKey | SJDACOMXKWHBOW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
酚丁 (CAS 125-13-3), with molecular formula C20H15NO3 and molecular weight 317.11 g/mol. IUPAC: 3,3-bis(4-hydroxyphenyl)-1H-indol-2-one.
Chemical Property Profile of 酚丁
Property Insights of 酚丁
The XLogP value of 3.2 indicates that 酚丁 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 酚丁. Following Lipinski's Rule of Five, 酚丁 has 3 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 酚丁?
The CAS number of 酚丁 is 125-13-3.
What is the molecular formula of 酚丁?
The molecular formula of 酚丁 is C20H15NO3.
What is the molecular weight of 酚丁?
The molecular weight of 酚丁 is 317.11 g/mol.
Where can I buy 酚丁?
You can request a quote for 酚丁 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 酚丁?
Yes, KEHONG BIO provides custom synthesis services for 酚丁 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.