Tert-butyl 4-formylbenzoate
TL;DR: Tert-butyl 4-formylbenzoate (CAS 65874-27-3) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 4-formylbenzoate
Also Known As: tert-butyl 4-formylbenzoate, 4-formyl-benzoic acid mono tert-butyl ester, t-butyl p-formylbenzoate, t-butyl 4-formylbenzoate, t-butyl-p-formyl-benzoate
| Molecular Formula | C12H14O3 |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 2.4544 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.0943 |
| Heavy Atoms | 15 |
| Complexity | 357.44876 |
Chemical Identifiers
| CAS Number | 65874-27-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C1=CC=C(C=C1)C=O |
Product Overview
Tert-butyl 4-formylbenzoate (CAS 65874-27-3), with molecular formula C12H14O3 and molecular weight 206.09 g/mol. IUPAC: tert-butyl 4-formylbenzoate.
Chemical Property Profile of Tert-butyl 4-formylbenzoate
Property Insights of Tert-butyl 4-formylbenzoate
The XLogP value of 2.4544 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 4-formylbenzoate. With a topological polar surface area (TPSA) of 43.37 Ų, Tert-butyl 4-formylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 4-formylbenzoate has 0 hydrogen bond donor(s) and 3 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 Tert-butyl 4-formylbenzoate?
The CAS number of Tert-butyl 4-formylbenzoate is 65874-27-3.
What is the molecular formula of Tert-butyl 4-formylbenzoate?
The molecular formula of Tert-butyl 4-formylbenzoate is C12H14O3.
What is the molecular weight of Tert-butyl 4-formylbenzoate?
The molecular weight of Tert-butyl 4-formylbenzoate is 206.09 g/mol.
Where can I buy Tert-butyl 4-formylbenzoate?
You can request a quote for Tert-butyl 4-formylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 4-formylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 4-formylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.