2,2',4-Trihydroxybenzophenone
TL;DR: 2,2',4-Trihydroxybenzophenone (CAS 13087-18-8) is a chemical compound with molecular formula C13H10O4 and molecular weight 230.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dihydroxyphenyl)-(2-hydroxyphenyl)methanone
Also Known As: 2,2',4-Trihydroxybenzophenone, 1,1,3-Trihydroxybenzophenone, 2,2'',4-trihydroxybenzophenone, 2,2',4-trihydroxy-benzophenone, 2,2/',4-Trihydroxybenzophenone
| Molecular Formula | C13H10O4 |
|---|---|
| Molecular Weight | 230.06 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.0579 |
| Heavy Atoms | 17 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 13087-18-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)C2=C(C=C(C=C2)O)O)O |
| InChIKey | FLYXGBNUYGAFAC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2',4-Trihydroxybenzophenone (CAS 13087-18-8), with molecular formula C13H10O4 and molecular weight 230.06 g/mol. IUPAC: (2,4-dihydroxyphenyl)-(2-hydroxyphenyl)methanone.
Chemical Property Profile of 2,2',4-Trihydroxybenzophenone
Property Insights of 2,2',4-Trihydroxybenzophenone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2',4-Trihydroxybenzophenone. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2',4-Trihydroxybenzophenone. Following Lipinski's Rule of Five, 2,2',4-Trihydroxybenzophenone 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',4-Trihydroxybenzophenone?
The CAS number of 2,2',4-Trihydroxybenzophenone is 13087-18-8.
What is the molecular formula of 2,2',4-Trihydroxybenzophenone?
The molecular formula of 2,2',4-Trihydroxybenzophenone is C13H10O4.
What is the molecular weight of 2,2',4-Trihydroxybenzophenone?
The molecular weight of 2,2',4-Trihydroxybenzophenone is 230.06 g/mol.
Where can I buy 2,2',4-Trihydroxybenzophenone?
You can request a quote for 2,2',4-Trihydroxybenzophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2',4-Trihydroxybenzophenone?
Yes, KEHONG BIO provides custom synthesis services for 2,2',4-Trihydroxybenzophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.