Methyl 2-(2,5-dimethylphenyl)propanoate
TL;DR: Methyl 2-(2,5-dimethylphenyl)propanoate (CAS 99356-70-4) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2,5-dimethylphenyl)propanoate
Also Known As: Methyl 2-(2,5-dimethylphenyl)propanoate, alpha,2,5-trimethyl-benzeneacetic acid, methyl ester, alpha,2,5-trimethyl-benzeneaceticacid,methylester
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 2.57994 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 342.17502 |
Chemical Identifiers
| CAS Number | 99356-70-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)C(C)C(=O)OC |
Product Overview
Methyl 2-(2,5-dimethylphenyl)propanoate (CAS 99356-70-4), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: methyl 2-(2,5-dimethylphenyl)propanoate.
Chemical Property Profile of Methyl 2-(2,5-dimethylphenyl)propanoate
Property Insights of Methyl 2-(2,5-dimethylphenyl)propanoate
The XLogP value of 2.57994 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(2,5-dimethylphenyl)propanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2-(2,5-dimethylphenyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(2,5-dimethylphenyl)propanoate 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-(2,5-dimethylphenyl)propanoate?
The CAS number of Methyl 2-(2,5-dimethylphenyl)propanoate is 99356-70-4.
What is the molecular formula of Methyl 2-(2,5-dimethylphenyl)propanoate?
The molecular formula of Methyl 2-(2,5-dimethylphenyl)propanoate is C12H16O2.
What is the molecular weight of Methyl 2-(2,5-dimethylphenyl)propanoate?
The molecular weight of Methyl 2-(2,5-dimethylphenyl)propanoate is 192.12 g/mol.
Where can I buy Methyl 2-(2,5-dimethylphenyl)propanoate?
You can request a quote for Methyl 2-(2,5-dimethylphenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(2,5-dimethylphenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(2,5-dimethylphenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.