1,1'-(2,4,6-Trihydroxy-1,3-phenylene)di(propan-1-one)
TL;DR: 1,1'-(2,4,6-Trihydroxy-1,3-phenylene)di(propan-1-one) (CAS 3145-11-7) is a chemical compound with molecular formula C12H14O5 and molecular weight 238.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4,6-trihydroxy-3-propanoylphenyl)propan-1-one
Also Known As: 1,1'- bis, 1-Propanone, 1,1'-(2,4,6-trihydroxy-m-phenylene)di-, 1-(2,4,6-trihydroxy-3-propanoylphenyl)propan-1-one, 1-Propanone, 1,1'-(2,4,6-trihydroxy-1,3-phenylene)bis-, 1,1'-(2,4,6-Trihydroxy-1,3-phenylene)di(propan-1-one)
| Molecular Formula | C12H14O5 |
|---|---|
| Molecular Weight | 238.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 238.08412 |
| Heavy Atoms | 17 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 3145-11-7 |
|---|---|
| SMILES | CCC(=O)C1=C(C(=C(C=C1O)O)C(=O)CC)O |
| InChIKey | MAULNQUCMOQLDU-UHFFFAOYSA-N |
Product Overview
1,1'-(2,4,6-Trihydroxy-1,3-phenylene)di(propan-1-one) (CAS 3145-11-7), with molecular formula C12H14O5 and molecular weight 238.08 g/mol. IUPAC: 1-(2,4,6-trihydroxy-3-propanoylphenyl)propan-1-one.
Chemical Property Profile of 1,1'-(2,4,6-Trihydroxy-1,3-phenylene)di(propan-1-one)
Property Insights of 1,1'-(2,4,6-Trihydroxy-1,3-phenylene)di(propan-1-one)
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1'-(2,4,6-Trihydroxy-1,3-phenylene)di(propan-1-one). The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-(2,4,6-Trihydroxy-1,3-phenylene)di(propan-1-one). Following Lipinski's Rule of Five, 1,1'-(2,4,6-Trihydroxy-1,3-phenylene)di(propan-1-one) has 3 hydrogen bond donor(s) and 5 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 1,1'-(2,4,6-Trihydroxy-1,3-phenylene)di(propan-1-one)?
The CAS number of 1,1'-(2,4,6-Trihydroxy-1,3-phenylene)di(propan-1-one) is 3145-11-7.
What is the molecular formula of 1,1'-(2,4,6-Trihydroxy-1,3-phenylene)di(propan-1-one)?
The molecular formula of 1,1'-(2,4,6-Trihydroxy-1,3-phenylene)di(propan-1-one) is C12H14O5.
What is the molecular weight of 1,1'-(2,4,6-Trihydroxy-1,3-phenylene)di(propan-1-one)?
The molecular weight of 1,1'-(2,4,6-Trihydroxy-1,3-phenylene)di(propan-1-one) is 238.08 g/mol.
Where can I buy 1,1'-(2,4,6-Trihydroxy-1,3-phenylene)di(propan-1-one)?
You can request a quote for 1,1'-(2,4,6-Trihydroxy-1,3-phenylene)di(propan-1-one) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-(2,4,6-Trihydroxy-1,3-phenylene)di(propan-1-one)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-(2,4,6-Trihydroxy-1,3-phenylene)di(propan-1-one) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.