tert-Butyl 4-formylphenyl carbonate
TL;DR: tert-Butyl 4-formylphenyl carbonate (CAS 87188-50-9) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (4-formylphenyl) carbonate
Also Known As: tert-Butyl 4-formylphenyl carbonate, tert-butyl (4-formylphenyl) carbonate, starbld0009662, tert-butyl (4-formylphenoxy)formate, p-t-butoxycarbonyloxybenzaldehyde
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 87188-50-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)OC1=CC=C(C=C1)C=O |
| InChIKey | RRFJMIZWYMSQAE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-Butyl 4-formylphenyl carbonate (CAS 87188-50-9), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: tert-butyl (4-formylphenyl) carbonate.
Chemical Property Profile of tert-Butyl 4-formylphenyl carbonate
Property Insights of tert-Butyl 4-formylphenyl carbonate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl 4-formylphenyl carbonate. With a topological polar surface area (TPSA) of 52.6 Ų, tert-Butyl 4-formylphenyl carbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl 4-formylphenyl carbonate has 0 hydrogen bond donor(s) and 4 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-formylphenyl carbonate?
The CAS number of tert-Butyl 4-formylphenyl carbonate is 87188-50-9.
What is the molecular formula of tert-Butyl 4-formylphenyl carbonate?
The molecular formula of tert-Butyl 4-formylphenyl carbonate is C12H14O4.
What is the molecular weight of tert-Butyl 4-formylphenyl carbonate?
The molecular weight of tert-Butyl 4-formylphenyl carbonate is 222.09 g/mol.
Where can I buy tert-Butyl 4-formylphenyl carbonate?
You can request a quote for tert-Butyl 4-formylphenyl carbonate 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-formylphenyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl 4-formylphenyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.