![Methyl [3-oxo-2-(2-pentynyl)cyclopentyl]acetate structure](/static/products/3743/37435-88-4.webp)
Methyl [3-oxo-2-(2-pentynyl)cyclopentyl]acetate
TL;DR: Methyl [3-oxo-2-(2-pentynyl)cyclopentyl]acetate (CAS 37435-88-4) is a chemical compound with molecular formula C13H18O3 and molecular weight 222.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3-oxo-2-pent-2-ynylcyclopentyl)acetate
Also Known As: Methyl [3-oxo-2-(2-pentynyl)cyclopentyl]acetate, 3-Oxo-2- cyclopentylaceticacidmethylester, methyl 2-(3-oxo-2-pent-2-ynylcyclopentyl)acetate, 3-Oxo-2-(2-pentynyl)cyclopentylacetic acid methyl ester, Methyl [3-oxo-2-(2-pentynyl)cyclopentyl]acetate #
| Molecular Formula | C13H18O3 |
|---|---|
| Molecular Weight | 222.13 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.1256 |
| Heavy Atoms | 16 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 37435-88-4 |
|---|---|
| SMILES | CCC#CCC1C(CCC1=O)CC(=O)OC |
| InChIKey | CZGQTUNUVWDHBM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl [3-oxo-2-(2-pentynyl)cyclopentyl]acetate (CAS 37435-88-4), with molecular formula C13H18O3 and molecular weight 222.13 g/mol. IUPAC: methyl 2-(3-oxo-2-pent-2-ynylcyclopentyl)acetate.
Chemical Property Profile of Methyl [3-oxo-2-(2-pentynyl)cyclopentyl]acetate
Property Insights of Methyl [3-oxo-2-(2-pentynyl)cyclopentyl]acetate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl [3-oxo-2-(2-pentynyl)cyclopentyl]acetate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl [3-oxo-2-(2-pentynyl)cyclopentyl]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl [3-oxo-2-(2-pentynyl)cyclopentyl]acetate 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 Methyl [3-oxo-2-(2-pentynyl)cyclopentyl]acetate?
The CAS number of Methyl [3-oxo-2-(2-pentynyl)cyclopentyl]acetate is 37435-88-4.
What is the molecular formula of Methyl [3-oxo-2-(2-pentynyl)cyclopentyl]acetate?
The molecular formula of Methyl [3-oxo-2-(2-pentynyl)cyclopentyl]acetate is C13H18O3.
What is the molecular weight of Methyl [3-oxo-2-(2-pentynyl)cyclopentyl]acetate?
The molecular weight of Methyl [3-oxo-2-(2-pentynyl)cyclopentyl]acetate is 222.13 g/mol.
Where can I buy Methyl [3-oxo-2-(2-pentynyl)cyclopentyl]acetate?
You can request a quote for Methyl [3-oxo-2-(2-pentynyl)cyclopentyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl [3-oxo-2-(2-pentynyl)cyclopentyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl [3-oxo-2-(2-pentynyl)cyclopentyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.