2,3,4,5,6-Pentamethylbenzyl acetate
TL;DR: 2,3,4,5,6-Pentamethylbenzyl acetate (CAS 19936-85-7) is a chemical compound with molecular formula C14H20O2 and molecular weight 220.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentamethylphenyl)methyl acetate
Also Known As: Pentamethylbenzyl acetate, Maybridge3_000810, 2,3,4,5,6-pentamethylbenzyl acetate, (2,3,4,5,6-pentamethylphenyl)methyl acetate, (pentamethylphenyl)methyl acetate
| Molecular Formula | C14H20O2 |
|---|---|
| Molecular Weight | 220.15 g/mol |
| LogP | 3.2918 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.14633 |
| Heavy Atoms | 16 |
| Complexity | 401.84686 |
Chemical Identifiers
| CAS Number | 19936-85-7 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1C)C)COC(=O)C)C)C |
Product Overview
2,3,4,5,6-Pentamethylbenzyl acetate (CAS 19936-85-7), with molecular formula C14H20O2 and molecular weight 220.15 g/mol. IUPAC: (2,3,4,5,6-pentamethylphenyl)methyl acetate.
Chemical Property Profile of 2,3,4,5,6-Pentamethylbenzyl acetate
Property Insights of 2,3,4,5,6-Pentamethylbenzyl acetate
The XLogP value of 3.2918 indicates that 2,3,4,5,6-Pentamethylbenzyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2,3,4,5,6-Pentamethylbenzyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4,5,6-Pentamethylbenzyl acetate has 0 hydrogen bond donor(s) and 2 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 2,3,4,5,6-Pentamethylbenzyl acetate?
The CAS number of 2,3,4,5,6-Pentamethylbenzyl acetate is 19936-85-7.
What is the molecular formula of 2,3,4,5,6-Pentamethylbenzyl acetate?
The molecular formula of 2,3,4,5,6-Pentamethylbenzyl acetate is C14H20O2.
What is the molecular weight of 2,3,4,5,6-Pentamethylbenzyl acetate?
The molecular weight of 2,3,4,5,6-Pentamethylbenzyl acetate is 220.15 g/mol.
Where can I buy 2,3,4,5,6-Pentamethylbenzyl acetate?
You can request a quote for 2,3,4,5,6-Pentamethylbenzyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4,5,6-Pentamethylbenzyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,5,6-Pentamethylbenzyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.