2',4',6'-Trihydroxy-4-(pyrrolidin-1-yl)butyrophenone
TL;DR: 2',4',6'-Trihydroxy-4-(pyrrolidin-1-yl)butyrophenone (CAS 70585-60-3) is a chemical compound with molecular formula C14H19NO4 and molecular weight 265.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-pyrrolidin-1-yl-1-(2,4,6-trihydroxyphenyl)butan-1-one
Also Known As: 2',4',6'-Trihydroxy-4-(pyrrolidin-1-yl)butyrophenone, 4-(PYRROLIDIN-1-YL)-1-(2,4,6-TRIHYDROXYPHENYL)BUTAN-1-ONE, 4-pyrrolidin-1-yl-1-(2,4,6-trihydroxyphenyl)butan-1-one, 2-[[3-(Pyrrolidin-1-yl)propyl]carbonyl]benzene-1,3,5-triol, 4-(1-Pyrrolidinyl)-1-(2,4,6-trihydroxyphenyl)-1-butanone
| Molecular Formula | C14H19NO4 |
|---|---|
| Molecular Weight | 265.13 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 81.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 265.1314 |
| Heavy Atoms | 19 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 70585-60-3 |
|---|---|
| SMILES | C1CCN(C1)CCCC(=O)C2=C(C=C(C=C2O)O)O |
| InChIKey | BAWROKQOTBLQSB-UHFFFAOYSA-N |
Product Overview
2',4',6'-Trihydroxy-4-(pyrrolidin-1-yl)butyrophenone (CAS 70585-60-3), with molecular formula C14H19NO4 and molecular weight 265.13 g/mol. IUPAC: 4-pyrrolidin-1-yl-1-(2,4,6-trihydroxyphenyl)butan-1-one.
Chemical Property Profile of 2',4',6'-Trihydroxy-4-(pyrrolidin-1-yl)butyrophenone
Property Insights of 2',4',6'-Trihydroxy-4-(pyrrolidin-1-yl)butyrophenone
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2',4',6'-Trihydroxy-4-(pyrrolidin-1-yl)butyrophenone. The TPSA of 81.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2',4',6'-Trihydroxy-4-(pyrrolidin-1-yl)butyrophenone. Following Lipinski's Rule of Five, 2',4',6'-Trihydroxy-4-(pyrrolidin-1-yl)butyrophenone 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 2',4',6'-Trihydroxy-4-(pyrrolidin-1-yl)butyrophenone?
The CAS number of 2',4',6'-Trihydroxy-4-(pyrrolidin-1-yl)butyrophenone is 70585-60-3.
What is the molecular formula of 2',4',6'-Trihydroxy-4-(pyrrolidin-1-yl)butyrophenone?
The molecular formula of 2',4',6'-Trihydroxy-4-(pyrrolidin-1-yl)butyrophenone is C14H19NO4.
What is the molecular weight of 2',4',6'-Trihydroxy-4-(pyrrolidin-1-yl)butyrophenone?
The molecular weight of 2',4',6'-Trihydroxy-4-(pyrrolidin-1-yl)butyrophenone is 265.13 g/mol.
Where can I buy 2',4',6'-Trihydroxy-4-(pyrrolidin-1-yl)butyrophenone?
You can request a quote for 2',4',6'-Trihydroxy-4-(pyrrolidin-1-yl)butyrophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2',4',6'-Trihydroxy-4-(pyrrolidin-1-yl)butyrophenone?
Yes, KEHONG BIO provides custom synthesis services for 2',4',6'-Trihydroxy-4-(pyrrolidin-1-yl)butyrophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.