1,2-Benzenedimethanol, 3,6-dimethoxy-4,5-dimethyl-, diacetate
TL;DR: 1,2-Benzenedimethanol, 3,6-dimethoxy-4,5-dimethyl-, diacetate (CAS 40870-61-9) is a chemical compound with molecular formula C16H22O6 and molecular weight 310.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(acetyloxymethyl)-3,6-dimethoxy-4,5-dimethylphenyl]methyl acetate
Also Known As: 1,2-Benzenedimethanol, 3,6-dimethoxy-4,5-dimethyl-, diacetate, 3,6-Dimethoxy-4,5-dimethyl-1,2-benzenedimethanol diacetate, (3,6-Dimethoxy-4,5-dimethyl-1,2-phenylene)bis(methylene) diacetate, [2-(acetyloxymethyl)-3,6-dimethoxy-4,5-dimethylphenyl]methyl acetate, RefChem:215490
| Molecular Formula | C16H22O6 |
|---|---|
| Molecular Weight | 310.14 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 310.14163 |
| Heavy Atoms | 22 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 40870-61-9 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1OC)COC(=O)C)COC(=O)C)OC)C |
| InChIKey | OPBUBPACXGSXBE-UHFFFAOYSA-N |
Product Overview
1,2-Benzenedimethanol, 3,6-dimethoxy-4,5-dimethyl-, diacetate (CAS 40870-61-9), with molecular formula C16H22O6 and molecular weight 310.14 g/mol. IUPAC: [2-(acetyloxymethyl)-3,6-dimethoxy-4,5-dimethylphenyl]methyl acetate.
Chemical Property Profile of 1,2-Benzenedimethanol, 3,6-dimethoxy-4,5-dimethyl-, diacetate
Property Insights of 1,2-Benzenedimethanol, 3,6-dimethoxy-4,5-dimethyl-, diacetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzenedimethanol, 3,6-dimethoxy-4,5-dimethyl-, diacetate. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzenedimethanol, 3,6-dimethoxy-4,5-dimethyl-, diacetate. Following Lipinski's Rule of Five, 1,2-Benzenedimethanol, 3,6-dimethoxy-4,5-dimethyl-, diacetate has 0 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 1,2-Benzenedimethanol, 3,6-dimethoxy-4,5-dimethyl-, diacetate?
The CAS number of 1,2-Benzenedimethanol, 3,6-dimethoxy-4,5-dimethyl-, diacetate is 40870-61-9.
What is the molecular formula of 1,2-Benzenedimethanol, 3,6-dimethoxy-4,5-dimethyl-, diacetate?
The molecular formula of 1,2-Benzenedimethanol, 3,6-dimethoxy-4,5-dimethyl-, diacetate is C16H22O6.
What is the molecular weight of 1,2-Benzenedimethanol, 3,6-dimethoxy-4,5-dimethyl-, diacetate?
The molecular weight of 1,2-Benzenedimethanol, 3,6-dimethoxy-4,5-dimethyl-, diacetate is 310.14 g/mol.
Where can I buy 1,2-Benzenedimethanol, 3,6-dimethoxy-4,5-dimethyl-, diacetate?
You can request a quote for 1,2-Benzenedimethanol, 3,6-dimethoxy-4,5-dimethyl-, diacetate 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-, diacetate?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedimethanol, 3,6-dimethoxy-4,5-dimethyl-, diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.