![4-[2-(2,4-Dinitroanilino)ethyl]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol structure](/static/products/3144/31448-47-2.webp)
4-[2-(2,4-Dinitroanilino)ethyl]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
TL;DR: 4-[2-(2,4-Dinitroanilino)ethyl]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol (CAS 31448-47-2) is a chemical compound with molecular formula C15H21N3O9 and molecular weight 387.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(2,4-dinitroanilino)ethyl]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
Also Known As: 4-[2-(2,4-dinitroanilino)ethyl]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol, Methyl 2-deoxy-3-C-[2-(2,4-dinitroanilino)ethyl]hexopyranoside
| Molecular Formula | C15H21N3O9 |
|---|---|
| Molecular Weight | 387.13 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.12778 |
| Heavy Atoms | 27 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 31448-47-2 |
|---|---|
| SMILES | COC1CC(C(C(O1)CO)O)(CCNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])O |
| InChIKey | UTLAZCREAICBHB-UHFFFAOYSA-N |
Product Overview
4-[2-(2,4-Dinitroanilino)ethyl]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol (CAS 31448-47-2), with molecular formula C15H21N3O9 and molecular weight 387.13 g/mol. IUPAC: 4-[2-(2,4-dinitroanilino)ethyl]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol.
Chemical Property Profile of 4-[2-(2,4-Dinitroanilino)ethyl]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
Property Insights of 4-[2-(2,4-Dinitroanilino)ethyl]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[2-(2,4-Dinitroanilino)ethyl]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol. The TPSA of 183.0 Ų indicates high polarity, suggesting 4-[2-(2,4-Dinitroanilino)ethyl]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-[2-(2,4-Dinitroanilino)ethyl]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol has 4 hydrogen bond donor(s) and 10 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-[2-(2,4-Dinitroanilino)ethyl]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol?
The CAS number of 4-[2-(2,4-Dinitroanilino)ethyl]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol is 31448-47-2.
What is the molecular formula of 4-[2-(2,4-Dinitroanilino)ethyl]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol?
The molecular formula of 4-[2-(2,4-Dinitroanilino)ethyl]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol is C15H21N3O9.
What is the molecular weight of 4-[2-(2,4-Dinitroanilino)ethyl]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol?
The molecular weight of 4-[2-(2,4-Dinitroanilino)ethyl]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol is 387.13 g/mol.
Where can I buy 4-[2-(2,4-Dinitroanilino)ethyl]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol?
You can request a quote for 4-[2-(2,4-Dinitroanilino)ethyl]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[2-(2,4-Dinitroanilino)ethyl]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-(2,4-Dinitroanilino)ethyl]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.