4-(1-Hydroxy-2-pyrrolidin-1-ylethyl)benzene-1,2-diol
TL;DR: 4-(1-Hydroxy-2-pyrrolidin-1-ylethyl)benzene-1,2-diol (CAS 53516-06-6) is a chemical compound with molecular formula C12H17NO3 and molecular weight 223.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-hydroxy-2-pyrrolidin-1-ylethyl)benzene-1,2-diol
Also Known As: 1-(3,4-dihydroxy-phenyl)-2-pyrrolidino-ethanol, 4-(1-hydroxy-2-pyrrolidin-1-ylethyl)benzene-1,2-diol
| Molecular Formula | C12H17NO3 |
|---|---|
| Molecular Weight | 223.12 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 63.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.12085 |
| Heavy Atoms | 16 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 53516-06-6 |
|---|---|
| SMILES | C1CCN(C1)CC(C2=CC(=C(C=C2)O)O)O |
| InChIKey | JFPQZLUMJVNFAY-UHFFFAOYSA-N |
Product Overview
4-(1-Hydroxy-2-pyrrolidin-1-ylethyl)benzene-1,2-diol (CAS 53516-06-6), with molecular formula C12H17NO3 and molecular weight 223.12 g/mol. IUPAC: 4-(1-hydroxy-2-pyrrolidin-1-ylethyl)benzene-1,2-diol.
Chemical Property Profile of 4-(1-Hydroxy-2-pyrrolidin-1-ylethyl)benzene-1,2-diol
Property Insights of 4-(1-Hydroxy-2-pyrrolidin-1-ylethyl)benzene-1,2-diol
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1-Hydroxy-2-pyrrolidin-1-ylethyl)benzene-1,2-diol. The TPSA of 63.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1-Hydroxy-2-pyrrolidin-1-ylethyl)benzene-1,2-diol. Following Lipinski's Rule of Five, 4-(1-Hydroxy-2-pyrrolidin-1-ylethyl)benzene-1,2-diol 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 4-(1-Hydroxy-2-pyrrolidin-1-ylethyl)benzene-1,2-diol?
The CAS number of 4-(1-Hydroxy-2-pyrrolidin-1-ylethyl)benzene-1,2-diol is 53516-06-6.
What is the molecular formula of 4-(1-Hydroxy-2-pyrrolidin-1-ylethyl)benzene-1,2-diol?
The molecular formula of 4-(1-Hydroxy-2-pyrrolidin-1-ylethyl)benzene-1,2-diol is C12H17NO3.
What is the molecular weight of 4-(1-Hydroxy-2-pyrrolidin-1-ylethyl)benzene-1,2-diol?
The molecular weight of 4-(1-Hydroxy-2-pyrrolidin-1-ylethyl)benzene-1,2-diol is 223.12 g/mol.
Where can I buy 4-(1-Hydroxy-2-pyrrolidin-1-ylethyl)benzene-1,2-diol?
You can request a quote for 4-(1-Hydroxy-2-pyrrolidin-1-ylethyl)benzene-1,2-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-Hydroxy-2-pyrrolidin-1-ylethyl)benzene-1,2-diol?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-Hydroxy-2-pyrrolidin-1-ylethyl)benzene-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.