Tert-butyl anthracene-9-carboxylate
TL;DR: Tert-butyl anthracene-9-carboxylate (CAS 1734-16-3) is a chemical compound with molecular formula C19H18O2 and molecular weight 278.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl anthracene-9-carboxylate
Also Known As: tert-butyl anthracene-9-carboxylate, 9-Anthracenecarboxylic acid tert-butyl ester, RefChem:383737
| Molecular Formula | C19H18O2 |
|---|---|
| Molecular Weight | 278.13 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.13068 |
| Heavy Atoms | 21 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 1734-16-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C1=C2C=CC=CC2=CC3=CC=CC=C31 |
| InChIKey | YUEMJCIBNHREMW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tert-butyl anthracene-9-carboxylate (CAS 1734-16-3), with molecular formula C19H18O2 and molecular weight 278.13 g/mol. IUPAC: tert-butyl anthracene-9-carboxylate.
Chemical Property Profile of Tert-butyl anthracene-9-carboxylate
Property Insights of Tert-butyl anthracene-9-carboxylate
The XLogP value of 5.2 indicates that Tert-butyl anthracene-9-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Tert-butyl anthracene-9-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl anthracene-9-carboxylate 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 Tert-butyl anthracene-9-carboxylate?
The CAS number of Tert-butyl anthracene-9-carboxylate is 1734-16-3.
What is the molecular formula of Tert-butyl anthracene-9-carboxylate?
The molecular formula of Tert-butyl anthracene-9-carboxylate is C19H18O2.
What is the molecular weight of Tert-butyl anthracene-9-carboxylate?
The molecular weight of Tert-butyl anthracene-9-carboxylate is 278.13 g/mol.
Where can I buy Tert-butyl anthracene-9-carboxylate?
You can request a quote for Tert-butyl anthracene-9-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl anthracene-9-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl anthracene-9-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.