2-(4-Bromoanilino)-6-(hydroxymethyl)oxane-3,4,5-triol
TL;DR: 2-(4-Bromoanilino)-6-(hydroxymethyl)oxane-3,4,5-triol (CAS 5975-04-2) is a chemical compound with molecular formula C12H16BrNO5 and molecular weight 333.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromoanilino)-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: N-(4-Bromophenyl)hexopyranosylamine, 2-(4-bromoanilino)-6-(hydroxymethyl)oxane-3,4,5-triol, BAS 00238861, N-(4-Bromophenyl)-beta-D-mannopyranosylamine, 2-(4-Bromo-phenylamino)-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol
| Molecular Formula | C12H16BrNO5 |
|---|---|
| Molecular Weight | 333.02 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.02118 |
| Heavy Atoms | 19 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 5975-04-2 |
|---|---|
| SMILES | C1=CC(=CC=C1NC2C(C(C(C(O2)CO)O)O)O)Br |
| InChIKey | MVAHLHJIWOAWSB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Bromoanilino)-6-(hydroxymethyl)oxane-3,4,5-triol (CAS 5975-04-2), with molecular formula C12H16BrNO5 and molecular weight 333.02 g/mol. IUPAC: 2-(4-bromoanilino)-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of 2-(4-Bromoanilino)-6-(hydroxymethyl)oxane-3,4,5-triol
Property Insights of 2-(4-Bromoanilino)-6-(hydroxymethyl)oxane-3,4,5-triol
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Bromoanilino)-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-Bromoanilino)-6-(hydroxymethyl)oxane-3,4,5-triol. Following Lipinski's Rule of Five, 2-(4-Bromoanilino)-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-Bromoanilino)-6-(hydroxymethyl)oxane-3,4,5-triol?
The CAS number of 2-(4-Bromoanilino)-6-(hydroxymethyl)oxane-3,4,5-triol is 5975-04-2.
What is the molecular formula of 2-(4-Bromoanilino)-6-(hydroxymethyl)oxane-3,4,5-triol?
The molecular formula of 2-(4-Bromoanilino)-6-(hydroxymethyl)oxane-3,4,5-triol is C12H16BrNO5.
What is the molecular weight of 2-(4-Bromoanilino)-6-(hydroxymethyl)oxane-3,4,5-triol?
The molecular weight of 2-(4-Bromoanilino)-6-(hydroxymethyl)oxane-3,4,5-triol is 333.02 g/mol.
Where can I buy 2-(4-Bromoanilino)-6-(hydroxymethyl)oxane-3,4,5-triol?
You can request a quote for 2-(4-Bromoanilino)-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-Bromoanilino)-6-(hydroxymethyl)oxane-3,4,5-triol?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromoanilino)-6-(hydroxymethyl)oxane-3,4,5-triol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.