3,4,5-Triacetoxybenzylalcohol
TL;DR: 3,4,5-Triacetoxybenzylalcohol (CAS 100945-24-2) is a chemical compound with molecular formula C13H14O7 and molecular weight 282.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,3-diacetyloxy-5-(hydroxymethyl)phenyl] acetate
Also Known As: Maybridge1_004159, 3,4,5-Triacetoxybenzylalcohol, 3,4,5-TRIACETOXYBENZYL ALCOHOL, 2,3-bis(acetyloxy)-5-(hydroxymethyl)phenyl acetate, [2,3-diacetyloxy-5-(hydroxymethyl)phenyl] acetate
| Molecular Formula | C13H14O7 |
|---|---|
| Molecular Weight | 282.07 g/mol |
| LogP | 0.9548 |
| Topological Polar Surface Area | 99.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.07394 |
| Heavy Atoms | 20 |
| Complexity | 510.6458 |
Chemical Identifiers
| CAS Number | 100945-24-2 |
|---|---|
| SMILES | CC(=O)OC1=CC(=CC(=C1OC(=O)C)OC(=O)C)CO |
Product Overview
3,4,5-Triacetoxybenzylalcohol (CAS 100945-24-2), with molecular formula C13H14O7 and molecular weight 282.07 g/mol. IUPAC: [2,3-diacetyloxy-5-(hydroxymethyl)phenyl] acetate.
Chemical Property Profile of 3,4,5-Triacetoxybenzylalcohol
Property Insights of 3,4,5-Triacetoxybenzylalcohol
The XLogP value of 0.9548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,5-Triacetoxybenzylalcohol. The TPSA of 99.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4,5-Triacetoxybenzylalcohol. Following Lipinski's Rule of Five, 3,4,5-Triacetoxybenzylalcohol has 1 hydrogen bond donor(s) and 7 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 3,4,5-Triacetoxybenzylalcohol?
The CAS number of 3,4,5-Triacetoxybenzylalcohol is 100945-24-2.
What is the molecular formula of 3,4,5-Triacetoxybenzylalcohol?
The molecular formula of 3,4,5-Triacetoxybenzylalcohol is C13H14O7.
What is the molecular weight of 3,4,5-Triacetoxybenzylalcohol?
The molecular weight of 3,4,5-Triacetoxybenzylalcohol is 282.07 g/mol.
Where can I buy 3,4,5-Triacetoxybenzylalcohol?
You can request a quote for 3,4,5-Triacetoxybenzylalcohol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5-Triacetoxybenzylalcohol?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-Triacetoxybenzylalcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.