2,2,3-Trihydroxy-1-phenylbutan-1-one
TL;DR: 2,2,3-Trihydroxy-1-phenylbutan-1-one (CAS 2437-61-8) is a chemical compound with molecular formula C10H12O4 and molecular weight 196.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,3-trihydroxy-1-phenylbutan-1-one
Also Known As: trihydroxy-butyrophenone, 2,2,3-Trihydroxy-1-phenylbutan-1-one, 1-Butanone, 1-phenyl-, trihydroxy deriv., 2,2,3-trihydroxy-1-phenyl-butan-1-one
| Molecular Formula | C10H12O4 |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.07356 |
| Heavy Atoms | 14 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 2437-61-8 |
|---|---|
| SMILES | CC(C(C(=O)C1=CC=CC=C1)(O)O)O |
| InChIKey | HDQXEDYPJZYWPY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,3-Trihydroxy-1-phenylbutan-1-one (CAS 2437-61-8), with molecular formula C10H12O4 and molecular weight 196.07 g/mol. IUPAC: 2,2,3-trihydroxy-1-phenylbutan-1-one.
Chemical Property Profile of 2,2,3-Trihydroxy-1-phenylbutan-1-one
Property Insights of 2,2,3-Trihydroxy-1-phenylbutan-1-one
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,3-Trihydroxy-1-phenylbutan-1-one. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2,3-Trihydroxy-1-phenylbutan-1-one. Following Lipinski's Rule of Five, 2,2,3-Trihydroxy-1-phenylbutan-1-one has 3 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 2,2,3-Trihydroxy-1-phenylbutan-1-one?
The CAS number of 2,2,3-Trihydroxy-1-phenylbutan-1-one is 2437-61-8.
What is the molecular formula of 2,2,3-Trihydroxy-1-phenylbutan-1-one?
The molecular formula of 2,2,3-Trihydroxy-1-phenylbutan-1-one is C10H12O4.
What is the molecular weight of 2,2,3-Trihydroxy-1-phenylbutan-1-one?
The molecular weight of 2,2,3-Trihydroxy-1-phenylbutan-1-one is 196.07 g/mol.
Where can I buy 2,2,3-Trihydroxy-1-phenylbutan-1-one?
You can request a quote for 2,2,3-Trihydroxy-1-phenylbutan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,3-Trihydroxy-1-phenylbutan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2,2,3-Trihydroxy-1-phenylbutan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.