5-Methyl-2-(propan-2-yl)phenyl propanoate
TL;DR: 5-Methyl-2-(propan-2-yl)phenyl propanoate (CAS 6311-81-5) 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.
(5-methyl-2-propan-2-ylphenyl) propanoate
Also Known As: thymyl propionate, 5-methyl-2-(propan-2-yl)phenyl propanoate, (5-methyl-2-propan-2-ylphenyl) propanoate, Phenol, 5-methyl-2-(1-methylethyl)-, propanoate
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 6311-81-5 |
|---|---|
| SMILES | CCC(=O)OC1=C(C=CC(=C1)C)C(C)C |
| InChIKey | PRPGMVZMFLIBQK-UHFFFAOYSA-N |
Product Overview
5-Methyl-2-(propan-2-yl)phenyl propanoate (CAS 6311-81-5), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: (5-methyl-2-propan-2-ylphenyl) propanoate.
Chemical Property Profile of 5-Methyl-2-(propan-2-yl)phenyl propanoate
Property Insights of 5-Methyl-2-(propan-2-yl)phenyl propanoate
The XLogP value of 3.5 indicates that 5-Methyl-2-(propan-2-yl)phenyl propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 5-Methyl-2-(propan-2-yl)phenyl propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-2-(propan-2-yl)phenyl 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 5-Methyl-2-(propan-2-yl)phenyl propanoate?
The CAS number of 5-Methyl-2-(propan-2-yl)phenyl propanoate is 6311-81-5.
What is the molecular formula of 5-Methyl-2-(propan-2-yl)phenyl propanoate?
The molecular formula of 5-Methyl-2-(propan-2-yl)phenyl propanoate is C13H18O2.
What is the molecular weight of 5-Methyl-2-(propan-2-yl)phenyl propanoate?
The molecular weight of 5-Methyl-2-(propan-2-yl)phenyl propanoate is 206.13 g/mol.
Where can I buy 5-Methyl-2-(propan-2-yl)phenyl propanoate?
You can request a quote for 5-Methyl-2-(propan-2-yl)phenyl propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-2-(propan-2-yl)phenyl propanoate?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-2-(propan-2-yl)phenyl propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.