5-Methoxy-m-xylene-4,alpha,alpha'-triol
TL;DR: 5-Methoxy-m-xylene-4,alpha,alpha'-triol (CAS 3153-97-7) is a chemical compound with molecular formula C9H12O4 and molecular weight 184.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-bis(hydroxymethyl)-6-methoxyphenol
Also Known As: 2,4-bis(hydroxymethyl)-6-methoxyphenol, 5-Methoxy-m-xylene-4,alpha,alpha'-triol, 6-Methoxy-2,4-bis-hydroxymethyl-phenol, 4-Hydroxy-5-methoxy-1,3-benzenedimethanol, 1,3-Benzenedimethanol,4-hydroxy-5-methoxy-
| Molecular Formula | C9H12O4 |
|---|---|
| Molecular Weight | 184.07 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.07356 |
| Heavy Atoms | 13 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 3153-97-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)CO)CO |
| InChIKey | NXEJUFMLUUNXKI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methoxy-m-xylene-4,alpha,alpha'-triol (CAS 3153-97-7), with molecular formula C9H12O4 and molecular weight 184.07 g/mol. IUPAC: 2,4-bis(hydroxymethyl)-6-methoxyphenol.
Chemical Property Profile of 5-Methoxy-m-xylene-4,alpha,alpha'-triol
Property Insights of 5-Methoxy-m-xylene-4,alpha,alpha'-triol
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methoxy-m-xylene-4,alpha,alpha'-triol. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methoxy-m-xylene-4,alpha,alpha'-triol. Following Lipinski's Rule of Five, 5-Methoxy-m-xylene-4,alpha,alpha'-triol has 3 hydrogen bond donor(s) and 4 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 5-Methoxy-m-xylene-4,alpha,alpha'-triol?
The CAS number of 5-Methoxy-m-xylene-4,alpha,alpha'-triol is 3153-97-7.
What is the molecular formula of 5-Methoxy-m-xylene-4,alpha,alpha'-triol?
The molecular formula of 5-Methoxy-m-xylene-4,alpha,alpha'-triol is C9H12O4.
What is the molecular weight of 5-Methoxy-m-xylene-4,alpha,alpha'-triol?
The molecular weight of 5-Methoxy-m-xylene-4,alpha,alpha'-triol is 184.07 g/mol.
Where can I buy 5-Methoxy-m-xylene-4,alpha,alpha'-triol?
You can request a quote for 5-Methoxy-m-xylene-4,alpha,alpha'-triol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methoxy-m-xylene-4,alpha,alpha'-triol?
Yes, KEHONG BIO provides custom synthesis services for 5-Methoxy-m-xylene-4,alpha,alpha'-triol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.