Methyl 3-(1-methylcyclopropyl)-3-oxopropanoate
TL;DR: Methyl 3-(1-methylcyclopropyl)-3-oxopropanoate (CAS 61185-33-9) is a chemical compound with molecular formula C8H12O3 and molecular weight 156.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(1-methylcyclopropyl)-3-oxopropanoate
Also Known As: methyl 3-(1-methylcyclopropyl)-3-oxopropanoate, METHYL 3-(1-METHYLCYCLOPROPYL)-3-OXO-PROPANOATE, J1.683.262F, methyl3-(1-methylcyclopropyl)-3-oxopropanoate, 3-Oxo-3-(1-methylcyclopropyl)propanoic acid methyl ester
| Molecular Formula | C8H12O3 |
|---|---|
| Molecular Weight | 156.08 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 156.07864 |
| Heavy Atoms | 11 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 61185-33-9 |
|---|---|
| SMILES | CC1(CC1)C(=O)CC(=O)OC |
| InChIKey | ZYDKTOHTRUZGCH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-(1-methylcyclopropyl)-3-oxopropanoate (CAS 61185-33-9), with molecular formula C8H12O3 and molecular weight 156.08 g/mol. IUPAC: methyl 3-(1-methylcyclopropyl)-3-oxopropanoate.
Chemical Property Profile of Methyl 3-(1-methylcyclopropyl)-3-oxopropanoate
Property Insights of Methyl 3-(1-methylcyclopropyl)-3-oxopropanoate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(1-methylcyclopropyl)-3-oxopropanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 3-(1-methylcyclopropyl)-3-oxopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(1-methylcyclopropyl)-3-oxopropanoate 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-(1-methylcyclopropyl)-3-oxopropanoate?
The CAS number of Methyl 3-(1-methylcyclopropyl)-3-oxopropanoate is 61185-33-9.
What is the molecular formula of Methyl 3-(1-methylcyclopropyl)-3-oxopropanoate?
The molecular formula of Methyl 3-(1-methylcyclopropyl)-3-oxopropanoate is C8H12O3.
What is the molecular weight of Methyl 3-(1-methylcyclopropyl)-3-oxopropanoate?
The molecular weight of Methyl 3-(1-methylcyclopropyl)-3-oxopropanoate is 156.08 g/mol.
Where can I buy Methyl 3-(1-methylcyclopropyl)-3-oxopropanoate?
You can request a quote for Methyl 3-(1-methylcyclopropyl)-3-oxopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(1-methylcyclopropyl)-3-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(1-methylcyclopropyl)-3-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.