(1-Benzoylcyclopropyl)methyl acetate
TL;DR: (1-Benzoylcyclopropyl)methyl acetate (CAS 51175-74-7) is a chemical compound with molecular formula C13H14O3 and molecular weight 218.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-benzoylcyclopropyl)methyl acetate
Also Known As: (1-benzoylcyclopropyl)methyl acetate, 2-Methylthio-3-cumaron, KST-1A5215
| Molecular Formula | C13H14O3 |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 218.0943 |
| Heavy Atoms | 16 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 51175-74-7 |
|---|---|
| SMILES | CC(=O)OCC1(CC1)C(=O)C2=CC=CC=C2 |
| InChIKey | CZQWWSJFVDFWON-UHFFFAOYSA-N |
Product Overview
(1-Benzoylcyclopropyl)methyl acetate (CAS 51175-74-7), with molecular formula C13H14O3 and molecular weight 218.09 g/mol. IUPAC: (1-benzoylcyclopropyl)methyl acetate.
Chemical Property Profile of (1-Benzoylcyclopropyl)methyl acetate
Property Insights of (1-Benzoylcyclopropyl)methyl acetate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-Benzoylcyclopropyl)methyl acetate. With a topological polar surface area (TPSA) of 43.4 Ų, (1-Benzoylcyclopropyl)methyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-Benzoylcyclopropyl)methyl 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 (1-Benzoylcyclopropyl)methyl acetate?
The CAS number of (1-Benzoylcyclopropyl)methyl acetate is 51175-74-7.
What is the molecular formula of (1-Benzoylcyclopropyl)methyl acetate?
The molecular formula of (1-Benzoylcyclopropyl)methyl acetate is C13H14O3.
What is the molecular weight of (1-Benzoylcyclopropyl)methyl acetate?
The molecular weight of (1-Benzoylcyclopropyl)methyl acetate is 218.09 g/mol.
Where can I buy (1-Benzoylcyclopropyl)methyl acetate?
You can request a quote for (1-Benzoylcyclopropyl)methyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Benzoylcyclopropyl)methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for (1-Benzoylcyclopropyl)methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.