5-((3,4-Dihydroxyphenyl)Methyl)Oxolan-2-One
TL;DR: 5-((3,4-Dihydroxyphenyl)Methyl)Oxolan-2-One (CAS 191666-22-5) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3,4-dihydroxyphenyl)methyl]oxolan-2-one
Also Known As: 5-[(3,4-dihydroxyphenyl)methyl]oxolan-2-one, Epicatechin metabolite M6, 5-(3',4'-dihydroxyphenyl)-gamma-valerolactone, NIOSH/LU5167200, Sid 729972
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.07356 |
| Heavy Atoms | 15 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 191666-22-5 |
|---|---|
| SMILES | C1CC(=O)OC1CC2=CC(=C(C=C2)O)O |
| InChIKey | ZNXXWTPQHVLMQT-UHFFFAOYSA-N |
Product Overview
5-((3,4-Dihydroxyphenyl)Methyl)Oxolan-2-One (CAS 191666-22-5), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: 5-[(3,4-dihydroxyphenyl)methyl]oxolan-2-one.
Chemical Property Profile of 5-((3,4-Dihydroxyphenyl)Methyl)Oxolan-2-One
Property Insights of 5-((3,4-Dihydroxyphenyl)Methyl)Oxolan-2-One
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-((3,4-Dihydroxyphenyl)Methyl)Oxolan-2-One. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((3,4-Dihydroxyphenyl)Methyl)Oxolan-2-One. Following Lipinski's Rule of Five, 5-((3,4-Dihydroxyphenyl)Methyl)Oxolan-2-One has 2 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 5-((3,4-Dihydroxyphenyl)Methyl)Oxolan-2-One?
The CAS number of 5-((3,4-Dihydroxyphenyl)Methyl)Oxolan-2-One is 191666-22-5.
What is the molecular formula of 5-((3,4-Dihydroxyphenyl)Methyl)Oxolan-2-One?
The molecular formula of 5-((3,4-Dihydroxyphenyl)Methyl)Oxolan-2-One is C11H12O4.
What is the molecular weight of 5-((3,4-Dihydroxyphenyl)Methyl)Oxolan-2-One?
The molecular weight of 5-((3,4-Dihydroxyphenyl)Methyl)Oxolan-2-One is 208.07 g/mol.
Where can I buy 5-((3,4-Dihydroxyphenyl)Methyl)Oxolan-2-One?
You can request a quote for 5-((3,4-Dihydroxyphenyl)Methyl)Oxolan-2-One directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((3,4-Dihydroxyphenyl)Methyl)Oxolan-2-One?
Yes, KEHONG BIO provides custom synthesis services for 5-((3,4-Dihydroxyphenyl)Methyl)Oxolan-2-One and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.