4-(2,4,4-Trimethylpentan-2-yl)phenyl propanoate
TL;DR: 4-(2,4,4-Trimethylpentan-2-yl)phenyl propanoate (CAS 6313-55-9) is a chemical compound with molecular formula C17H26O2 and molecular weight 262.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2,4,4-trimethylpentan-2-yl)phenyl] propanoate
Also Known As: Salicoylazid, 4-(2,4,4-trimethylpentan-2-yl)phenyl propanoate, [4-(2,4,4-trimethylpentan-2-yl)phenyl] propanoate
| Molecular Formula | C17H26O2 |
|---|---|
| Molecular Weight | 262.19 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 262.19327 |
| Heavy Atoms | 19 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 6313-55-9 |
|---|---|
| SMILES | CCC(=O)OC1=CC=C(C=C1)C(C)(C)CC(C)(C)C |
| InChIKey | OOOVJAIDOOWQFJ-UHFFFAOYSA-N |
Product Overview
4-(2,4,4-Trimethylpentan-2-yl)phenyl propanoate (CAS 6313-55-9), with molecular formula C17H26O2 and molecular weight 262.19 g/mol. IUPAC: [4-(2,4,4-trimethylpentan-2-yl)phenyl] propanoate.
Chemical Property Profile of 4-(2,4,4-Trimethylpentan-2-yl)phenyl propanoate
Property Insights of 4-(2,4,4-Trimethylpentan-2-yl)phenyl propanoate
The XLogP value of 5.5 indicates that 4-(2,4,4-Trimethylpentan-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, 4-(2,4,4-Trimethylpentan-2-yl)phenyl propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,4,4-Trimethylpentan-2-yl)phenyl propanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(2,4,4-Trimethylpentan-2-yl)phenyl propanoate?
The CAS number of 4-(2,4,4-Trimethylpentan-2-yl)phenyl propanoate is 6313-55-9.
What is the molecular formula of 4-(2,4,4-Trimethylpentan-2-yl)phenyl propanoate?
The molecular formula of 4-(2,4,4-Trimethylpentan-2-yl)phenyl propanoate is C17H26O2.
What is the molecular weight of 4-(2,4,4-Trimethylpentan-2-yl)phenyl propanoate?
The molecular weight of 4-(2,4,4-Trimethylpentan-2-yl)phenyl propanoate is 262.19 g/mol.
Where can I buy 4-(2,4,4-Trimethylpentan-2-yl)phenyl propanoate?
You can request a quote for 4-(2,4,4-Trimethylpentan-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 4-(2,4,4-Trimethylpentan-2-yl)phenyl propanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,4,4-Trimethylpentan-2-yl)phenyl propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.