2-(4-Chloroanilino)-6-(hydroxymethyl)oxane-3,4,5-triol
TL;DR: 2-(4-Chloroanilino)-6-(hydroxymethyl)oxane-3,4,5-triol (CAS 5975-03-1) is a chemical compound with molecular formula C12H16ClNO5 and molecular weight 289.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloroanilino)-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: N-(4-Chlorophenyl)hexopyranosylamine, BAS 00238862, N-(4-chlorophenyl)-beta-D-mannopyranosylamine, 2-(4-chloroanilino)-6-(hydroxymethyl)oxane-3,4,5-triol, 2-[(4-chlorophenyl)amino]-6-(hydroxymethyl)oxane-3,4,5-triol
| Molecular Formula | C12H16ClNO5 |
|---|---|
| Molecular Weight | 289.07 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.0717 |
| Heavy Atoms | 19 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 5975-03-1 |
|---|---|
| SMILES | C1=CC(=CC=C1NC2C(C(C(C(O2)CO)O)O)O)Cl |
| InChIKey | IMPAWVRZOFUWFL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Chloroanilino)-6-(hydroxymethyl)oxane-3,4,5-triol (CAS 5975-03-1), with molecular formula C12H16ClNO5 and molecular weight 289.07 g/mol. IUPAC: 2-(4-chloroanilino)-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of 2-(4-Chloroanilino)-6-(hydroxymethyl)oxane-3,4,5-triol
Property Insights of 2-(4-Chloroanilino)-6-(hydroxymethyl)oxane-3,4,5-triol
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Chloroanilino)-6-(hydroxymethyl)oxane-3,4,5-triol. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Chloroanilino)-6-(hydroxymethyl)oxane-3,4,5-triol. Following Lipinski's Rule of Five, 2-(4-Chloroanilino)-6-(hydroxymethyl)oxane-3,4,5-triol has 5 hydrogen bond donor(s) and 6 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 2-(4-Chloroanilino)-6-(hydroxymethyl)oxane-3,4,5-triol?
The CAS number of 2-(4-Chloroanilino)-6-(hydroxymethyl)oxane-3,4,5-triol is 5975-03-1.
What is the molecular formula of 2-(4-Chloroanilino)-6-(hydroxymethyl)oxane-3,4,5-triol?
The molecular formula of 2-(4-Chloroanilino)-6-(hydroxymethyl)oxane-3,4,5-triol is C12H16ClNO5.
What is the molecular weight of 2-(4-Chloroanilino)-6-(hydroxymethyl)oxane-3,4,5-triol?
The molecular weight of 2-(4-Chloroanilino)-6-(hydroxymethyl)oxane-3,4,5-triol is 289.07 g/mol.
Where can I buy 2-(4-Chloroanilino)-6-(hydroxymethyl)oxane-3,4,5-triol?
You can request a quote for 2-(4-Chloroanilino)-6-(hydroxymethyl)oxane-3,4,5-triol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chloroanilino)-6-(hydroxymethyl)oxane-3,4,5-triol?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chloroanilino)-6-(hydroxymethyl)oxane-3,4,5-triol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.