Methyl 2,3,4,5,6-pentamethylbenzoate
TL;DR: Methyl 2,3,4,5,6-pentamethylbenzoate (CAS 28195-45-1) is a chemical compound with molecular formula C13H18O2 and molecular weight 206.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,3,4,5,6-pentamethylbenzoate
Also Known As: hexamethyl-benzoic acid, Methyl pentamethylbenzoate, Methyl 2,3,4,5,6-pentamethylbenzoate, Pentamethylbenzoic acid methyl ester, 2,3,4,5,6-Pentamethylbenzoic acid methyl ester
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 3.0153 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 388.0295 |
Chemical Identifiers
| CAS Number | 28195-45-1 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1C)C)C(=O)OC)C)C |
Product Overview
Methyl 2,3,4,5,6-pentamethylbenzoate (CAS 28195-45-1), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: methyl 2,3,4,5,6-pentamethylbenzoate.
Chemical Property Profile of Methyl 2,3,4,5,6-pentamethylbenzoate
Property Insights of Methyl 2,3,4,5,6-pentamethylbenzoate
The XLogP value of 3.0153 indicates that Methyl 2,3,4,5,6-pentamethylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2,3,4,5,6-pentamethylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2,3,4,5,6-pentamethylbenzoate 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 Methyl 2,3,4,5,6-pentamethylbenzoate?
The CAS number of Methyl 2,3,4,5,6-pentamethylbenzoate is 28195-45-1.
What is the molecular formula of Methyl 2,3,4,5,6-pentamethylbenzoate?
The molecular formula of Methyl 2,3,4,5,6-pentamethylbenzoate is C13H18O2.
What is the molecular weight of Methyl 2,3,4,5,6-pentamethylbenzoate?
The molecular weight of Methyl 2,3,4,5,6-pentamethylbenzoate is 206.13 g/mol.
Where can I buy Methyl 2,3,4,5,6-pentamethylbenzoate?
You can request a quote for Methyl 2,3,4,5,6-pentamethylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,3,4,5,6-pentamethylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,3,4,5,6-pentamethylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.