1,2-Benzenedimethanol, 3,6-dimethoxy-4,5-dimethyl-
TL;DR: 1,2-Benzenedimethanol, 3,6-dimethoxy-4,5-dimethyl- (CAS 40870-63-1) is a chemical compound with molecular formula C12H18O4 and molecular weight 226.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(hydroxymethyl)-3,6-dimethoxy-4,5-dimethylphenyl]methanol
Also Known As: 1,2-Benzenedimethanol, 3,6-dimethoxy-4,5-dimethyl-, 3,6-Dimethoxy-4,5-dimethyl-1,2-benzenedimethanol, 1,2-Benzenedimethanol,3,6-dimethoxy-4,5-dimethyl-, [2-(hydroxymethyl)-3,6-dimethoxy-4,5-dimethylphenyl]methanol, (3,6-Dimethoxy-4,5-dimethyl-1,2-phenylene)dimethanol
| Molecular Formula | C12H18O4 |
|---|---|
| Molecular Weight | 226.12 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.12051 |
| Heavy Atoms | 16 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 40870-63-1 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1OC)CO)CO)OC)C |
| InChIKey | KUXBLLYYJUSAFD-UHFFFAOYSA-N |
Product Overview
1,2-Benzenedimethanol, 3,6-dimethoxy-4,5-dimethyl- (CAS 40870-63-1), with molecular formula C12H18O4 and molecular weight 226.12 g/mol. IUPAC: [2-(hydroxymethyl)-3,6-dimethoxy-4,5-dimethylphenyl]methanol.
Chemical Property Profile of 1,2-Benzenedimethanol, 3,6-dimethoxy-4,5-dimethyl-
Property Insights of 1,2-Benzenedimethanol, 3,6-dimethoxy-4,5-dimethyl-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzenedimethanol, 3,6-dimethoxy-4,5-dimethyl-. With a topological polar surface area (TPSA) of 58.9 Ų, 1,2-Benzenedimethanol, 3,6-dimethoxy-4,5-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benzenedimethanol, 3,6-dimethoxy-4,5-dimethyl- has 2 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 1,2-Benzenedimethanol, 3,6-dimethoxy-4,5-dimethyl-?
The CAS number of 1,2-Benzenedimethanol, 3,6-dimethoxy-4,5-dimethyl- is 40870-63-1.
What is the molecular formula of 1,2-Benzenedimethanol, 3,6-dimethoxy-4,5-dimethyl-?
The molecular formula of 1,2-Benzenedimethanol, 3,6-dimethoxy-4,5-dimethyl- is C12H18O4.
What is the molecular weight of 1,2-Benzenedimethanol, 3,6-dimethoxy-4,5-dimethyl-?
The molecular weight of 1,2-Benzenedimethanol, 3,6-dimethoxy-4,5-dimethyl- is 226.12 g/mol.
Where can I buy 1,2-Benzenedimethanol, 3,6-dimethoxy-4,5-dimethyl-?
You can request a quote for 1,2-Benzenedimethanol, 3,6-dimethoxy-4,5-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzenedimethanol, 3,6-dimethoxy-4,5-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedimethanol, 3,6-dimethoxy-4,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.