1-(3,4-Dimethoxyphenyl)-2-(4-nitrophenoxy)propane-1,3-diol
TL;DR: 1-(3,4-Dimethoxyphenyl)-2-(4-nitrophenoxy)propane-1,3-diol (CAS 81826-15-5) is a chemical compound with molecular formula C17H19NO7 and molecular weight 349.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethoxyphenyl)-2-(4-nitrophenoxy)propane-1,3-diol
Also Known As: 1-(3,4-dimethoxyphenyl)-2-(4-nitrophenoxy)propane-1,3-diol, J1.592.228A, 1,3-Propanediol, 1-(3,4-dimethoxyphenyl)-2-(4-nitrophenoxy)-, 2-(4-NITROPHENOXY)-1-(3,4-DIMETHOXYPHENYL)-P*, 1-(3,4-Dimethoxyphenyl)-2-(4-nitrophenoxy)-1,3-propanediol
| Molecular Formula | C17H19NO7 |
|---|---|
| Molecular Weight | 349.12 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 349.11615 |
| Heavy Atoms | 25 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 81826-15-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(C(CO)OC2=CC=C(C=C2)[N+](=O)[O-])O)OC |
| InChIKey | YRFIFHWEZZUIBW-UHFFFAOYSA-N |
Product Overview
1-(3,4-Dimethoxyphenyl)-2-(4-nitrophenoxy)propane-1,3-diol (CAS 81826-15-5), with molecular formula C17H19NO7 and molecular weight 349.12 g/mol. IUPAC: 1-(3,4-dimethoxyphenyl)-2-(4-nitrophenoxy)propane-1,3-diol.
Chemical Property Profile of 1-(3,4-Dimethoxyphenyl)-2-(4-nitrophenoxy)propane-1,3-diol
Property Insights of 1-(3,4-Dimethoxyphenyl)-2-(4-nitrophenoxy)propane-1,3-diol
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-Dimethoxyphenyl)-2-(4-nitrophenoxy)propane-1,3-diol. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-Dimethoxyphenyl)-2-(4-nitrophenoxy)propane-1,3-diol. Following Lipinski's Rule of Five, 1-(3,4-Dimethoxyphenyl)-2-(4-nitrophenoxy)propane-1,3-diol has 2 hydrogen bond donor(s) and 7 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-(3,4-Dimethoxyphenyl)-2-(4-nitrophenoxy)propane-1,3-diol?
The CAS number of 1-(3,4-Dimethoxyphenyl)-2-(4-nitrophenoxy)propane-1,3-diol is 81826-15-5.
What is the molecular formula of 1-(3,4-Dimethoxyphenyl)-2-(4-nitrophenoxy)propane-1,3-diol?
The molecular formula of 1-(3,4-Dimethoxyphenyl)-2-(4-nitrophenoxy)propane-1,3-diol is C17H19NO7.
What is the molecular weight of 1-(3,4-Dimethoxyphenyl)-2-(4-nitrophenoxy)propane-1,3-diol?
The molecular weight of 1-(3,4-Dimethoxyphenyl)-2-(4-nitrophenoxy)propane-1,3-diol is 349.12 g/mol.
Where can I buy 1-(3,4-Dimethoxyphenyl)-2-(4-nitrophenoxy)propane-1,3-diol?
You can request a quote for 1-(3,4-Dimethoxyphenyl)-2-(4-nitrophenoxy)propane-1,3-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-Dimethoxyphenyl)-2-(4-nitrophenoxy)propane-1,3-diol?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dimethoxyphenyl)-2-(4-nitrophenoxy)propane-1,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.