2,3,4,5,6-Pentamethylbenzyl alcohol
TL;DR: 2,3,4,5,6-Pentamethylbenzyl alcohol (CAS 484-66-2) is a chemical compound with molecular formula C12H18O and molecular weight 178.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentamethylphenyl)methanol
Also Known As: 2,3,4,5,6-Pentamethylbenzyl alcohol, (2,3,4,5,6-pentamethylphenyl)methanol, Beta-Aspartame, pentamethylbenzyl alcohol, pentamethylphenyl-methanol
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 2.721 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 308.4631 |
Chemical Identifiers
| CAS Number | 484-66-2 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1C)C)CO)C)C |
Product Overview
2,3,4,5,6-Pentamethylbenzyl alcohol (CAS 484-66-2), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: (2,3,4,5,6-pentamethylphenyl)methanol.
Chemical Property Profile of 2,3,4,5,6-Pentamethylbenzyl alcohol
Property Insights of 2,3,4,5,6-Pentamethylbenzyl alcohol
The XLogP value of 2.721 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4,5,6-Pentamethylbenzyl alcohol. With a topological polar surface area (TPSA) of 20.23 Ų, 2,3,4,5,6-Pentamethylbenzyl alcohol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4,5,6-Pentamethylbenzyl alcohol has 1 hydrogen bond donor(s) and 1 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 alcohol?
The CAS number of 2,3,4,5,6-Pentamethylbenzyl alcohol is 484-66-2.
What is the molecular formula of 2,3,4,5,6-Pentamethylbenzyl alcohol?
The molecular formula of 2,3,4,5,6-Pentamethylbenzyl alcohol is C12H18O.
What is the molecular weight of 2,3,4,5,6-Pentamethylbenzyl alcohol?
The molecular weight of 2,3,4,5,6-Pentamethylbenzyl alcohol is 178.14 g/mol.
Where can I buy 2,3,4,5,6-Pentamethylbenzyl alcohol?
You can request a quote for 2,3,4,5,6-Pentamethylbenzyl alcohol 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 alcohol?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,5,6-Pentamethylbenzyl alcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.