Butan-2-yl 5-oxo-2,3-diphenylcyclopentanecarboxylate
TL;DR: Butan-2-yl 5-oxo-2,3-diphenylcyclopentanecarboxylate (CAS 178047-82-0) 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.
butan-2-yl 5-oxo-2,3-diphenylcyclopentane-1-carboxylate
Also Known As: butan-2-yl 5-oxo-2,3-diphenylcyclopentanecarboxylate, butan-2-yl 5-oxo-2,3-diphenylcyclopentane-1-carboxylate, BUTAN-2-YL 5-OXO-2,3-DIPHENYL-CYCLOPENTANE-1-CARBOXYLATE
| Molecular Formula | C22H24O3 |
|---|---|
| Molecular Weight | 336.17 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 336.17255 |
| Heavy Atoms | 25 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 178047-82-0 |
|---|---|
| SMILES | CCC(C)OC(=O)C1C(C(CC1=O)C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | OJOAUWXWKLPXLM-UHFFFAOYSA-N |
Product Overview
Butan-2-yl 5-oxo-2,3-diphenylcyclopentanecarboxylate (CAS 178047-82-0), with molecular formula C22H24O3 and molecular weight 336.17 g/mol. IUPAC: butan-2-yl 5-oxo-2,3-diphenylcyclopentane-1-carboxylate.
Chemical Property Profile of Butan-2-yl 5-oxo-2,3-diphenylcyclopentanecarboxylate
Property Insights of Butan-2-yl 5-oxo-2,3-diphenylcyclopentanecarboxylate
The XLogP value of 4.6 indicates that Butan-2-yl 5-oxo-2,3-diphenylcyclopentanecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Butan-2-yl 5-oxo-2,3-diphenylcyclopentanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butan-2-yl 5-oxo-2,3-diphenylcyclopentanecarboxylate 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 Butan-2-yl 5-oxo-2,3-diphenylcyclopentanecarboxylate?
The CAS number of Butan-2-yl 5-oxo-2,3-diphenylcyclopentanecarboxylate is 178047-82-0.
What is the molecular formula of Butan-2-yl 5-oxo-2,3-diphenylcyclopentanecarboxylate?
The molecular formula of Butan-2-yl 5-oxo-2,3-diphenylcyclopentanecarboxylate is C22H24O3.
What is the molecular weight of Butan-2-yl 5-oxo-2,3-diphenylcyclopentanecarboxylate?
The molecular weight of Butan-2-yl 5-oxo-2,3-diphenylcyclopentanecarboxylate is 336.17 g/mol.
Where can I buy Butan-2-yl 5-oxo-2,3-diphenylcyclopentanecarboxylate?
You can request a quote for Butan-2-yl 5-oxo-2,3-diphenylcyclopentanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butan-2-yl 5-oxo-2,3-diphenylcyclopentanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Butan-2-yl 5-oxo-2,3-diphenylcyclopentanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.