2-phenylmethylcyclopentanone
TL;DR: 2-phenylmethylcyclopentanone (CAS 5925-93-9) is a chemical compound with molecular formula C18H13N3O2S and molecular weight 335.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(4-methoxyphenyl)methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Also Known As: 2-phenylmethylcyclopentanone, KST-1A6305, BIM-0035403.P001, (5z)-5-(4-methoxybenzylidene)-2-phenyl[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5h)-one, (5Z)-5-[(4-methoxyphenyl)methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
| Molecular Formula | C18H13N3O2S |
|---|---|
| Molecular Weight | 335.07 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 82.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.07285 |
| Heavy Atoms | 24 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 5925-93-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=C\2/C(=O)N3C(=NC(=N3)C4=CC=CC=C4)S2 |
| InChIKey | QDPJYAHUAMXELX-PTNGSMBKSA-N |
Product Overview
2-phenylmethylcyclopentanone (CAS 5925-93-9), with molecular formula C18H13N3O2S and molecular weight 335.07 g/mol. IUPAC: (5Z)-5-[(4-methoxyphenyl)methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
Chemical Property Profile of 2-phenylmethylcyclopentanone
Property Insights of 2-phenylmethylcyclopentanone
The XLogP value of 4.3 indicates that 2-phenylmethylcyclopentanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-phenylmethylcyclopentanone. Following Lipinski's Rule of Five, 2-phenylmethylcyclopentanone has 0 hydrogen bond donor(s) and 5 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 2-phenylmethylcyclopentanone?
The CAS number of 2-phenylmethylcyclopentanone is 5925-93-9.
What is the molecular formula of 2-phenylmethylcyclopentanone?
The molecular formula of 2-phenylmethylcyclopentanone is C18H13N3O2S.
What is the molecular weight of 2-phenylmethylcyclopentanone?
The molecular weight of 2-phenylmethylcyclopentanone is 335.07 g/mol.
Where can I buy 2-phenylmethylcyclopentanone?
You can request a quote for 2-phenylmethylcyclopentanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-phenylmethylcyclopentanone?
Yes, KEHONG BIO provides custom synthesis services for 2-phenylmethylcyclopentanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.