tert-Butyl 5-oxo-2,3-diphenylcyclopentane-1-carboxylate
TL;DR: tert-Butyl 5-oxo-2,3-diphenylcyclopentane-1-carboxylate (CAS 178047-85-3) is a chemical compound with molecular formula C22H24O3 and molecular weight 336.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 5-oxo-2,3-diphenylcyclopentane-1-carboxylate
Also Known As: tert-butyl 5-oxo-2,3-diphenylcyclopentane-1-carboxylate, tert-butyl 5-oxo-2,3-diphenylcyclopentanecarboxylate, Cyclopentanecarboxylic acid, 5-oxo-2,3-diphenyl-,1,1-dimethylethyl ester, RefChem:383683
| Molecular Formula | C22H24O3 |
|---|---|
| Molecular Weight | 336.17 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.17255 |
| Heavy Atoms | 25 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 178047-85-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C1C(C(CC1=O)C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | HUINMZVYBSWLCT-UHFFFAOYSA-N |
Product Overview
tert-Butyl 5-oxo-2,3-diphenylcyclopentane-1-carboxylate (CAS 178047-85-3), with molecular formula C22H24O3 and molecular weight 336.17 g/mol. IUPAC: tert-butyl 5-oxo-2,3-diphenylcyclopentane-1-carboxylate.
Chemical Property Profile of tert-Butyl 5-oxo-2,3-diphenylcyclopentane-1-carboxylate
Property Insights of tert-Butyl 5-oxo-2,3-diphenylcyclopentane-1-carboxylate
The XLogP value of 4.3 indicates that tert-Butyl 5-oxo-2,3-diphenylcyclopentane-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, tert-Butyl 5-oxo-2,3-diphenylcyclopentane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl 5-oxo-2,3-diphenylcyclopentane-1-carboxylate 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 5-oxo-2,3-diphenylcyclopentane-1-carboxylate?
The CAS number of tert-Butyl 5-oxo-2,3-diphenylcyclopentane-1-carboxylate is 178047-85-3.
What is the molecular formula of tert-Butyl 5-oxo-2,3-diphenylcyclopentane-1-carboxylate?
The molecular formula of tert-Butyl 5-oxo-2,3-diphenylcyclopentane-1-carboxylate is C22H24O3.
What is the molecular weight of tert-Butyl 5-oxo-2,3-diphenylcyclopentane-1-carboxylate?
The molecular weight of tert-Butyl 5-oxo-2,3-diphenylcyclopentane-1-carboxylate is 336.17 g/mol.
Where can I buy tert-Butyl 5-oxo-2,3-diphenylcyclopentane-1-carboxylate?
You can request a quote for tert-Butyl 5-oxo-2,3-diphenylcyclopentane-1-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 5-oxo-2,3-diphenylcyclopentane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl 5-oxo-2,3-diphenylcyclopentane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.