1,2,3-Benzenetriol,ethyl
TL;DR: 1,2,3-Benzenetriol,ethyl (CAS 143503-29-1) is a chemical compound with molecular formula C25H40N2O8 and molecular weight 496.27847 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
oxalic acid;(1-propoxy-3-pyrrolidin-1-ylpropan-2-yl) N-(2-hexoxyphenyl)carbamate
Also Known As: 1,2,3-Benzenetriol,ethyl, Carbanilic acid, o-(hexyloxy)-, 2-propoxy-1-(1-pyrrolidinylmethyl)ethyl ester, oxalate, Carbamic acid, (2-(hexyloxy)phenyl)-, 1-(propoxymethyl)-2-(1-pyrrolidinyl)ethyl ester, ethanedioate (1:1), oxalic acid,(1-propoxy-3-pyrrolidin-1-ylpropan-2-yl) N-(2-hexoxyphenyl)carbamate, OXALIC ACID; (1-PROPOXY-3-PYRROLIDIN-1-YL-PROPAN-2-YL) N-(2-HEXOXYPHENYL)CARBAMATE
Technical Specifications
| Molecular Formula | C25H40N2O8 |
| Molecular Weight | 496.27847 g/mol |
| XLogP | 4.2408 |
| Topological Polar Surface Area (TPSA) | 135.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 16 |
| Exact Mass | 496.27847 Da |
| Heavy Atoms | 35 |
| Complexity | 501.0 |
| SMILES | CCCCCCOC1=CC=CC=C1NC(=O)OC(CN2CCCC2)COCCC.C(=O)(C(=O)O)O |
| InChIKey | HJISJHYYUTZNRY-UHFFFAOYSA-N |
Chemical Property Profile of 1,2,3-Benzenetriol,ethyl
Property Insights of 1,2,3-Benzenetriol,ethyl
The XLogP value of 4.2408 indicates that 1,2,3-Benzenetriol,ethyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3-Benzenetriol,ethyl. Following Lipinski's Rule of Five, 1,2,3-Benzenetriol,ethyl has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,2,3-Benzenetriol,ethyl?
The CAS number of 1,2,3-Benzenetriol,ethyl is 143503-29-1.
What is the molecular formula of 1,2,3-Benzenetriol,ethyl?
The molecular formula of 1,2,3-Benzenetriol,ethyl is C25H40N2O8.
What is the molecular weight of 1,2,3-Benzenetriol,ethyl?
The molecular weight of 1,2,3-Benzenetriol,ethyl is 496.27847 g/mol.
Where can I buy 1,2,3-Benzenetriol,ethyl?
You can request a quote for 1,2,3-Benzenetriol,ethyl directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2,3-Benzenetriol,ethyl?
Yes, CoreyChem provides custom synthesis services for 1,2,3-Benzenetriol,ethyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.