Ethyl 3-cyclopropyl-3-hydroxybutanoate
TL;DR: Ethyl 3-cyclopropyl-3-hydroxybutanoate (CAS 938-14-7) is a chemical compound with molecular formula C9H16O3 and molecular weight 172.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-cyclopropyl-3-hydroxybutanoate
Also Known As: ethyl 3-cyclopropyl-3-hydroxybutanoate, Ethyl beta-hydroxy-beta-methylcyclopropanepropanoate, Ethyl ?-hydroxy-?-methylcyclopropanepropanoate, J2.866.388I, 3-Cyclopropyl-3-hydroxybutanoic acid ethyl ester
| Molecular Formula | C9H16O3 |
|---|---|
| Molecular Weight | 172.11 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 172.10994 |
| Heavy Atoms | 12 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 938-14-7 |
|---|---|
| SMILES | CCOC(=O)CC(C)(C1CC1)O |
| InChIKey | UESKVKKRHAAILO-UHFFFAOYSA-N |
Product Overview
Ethyl 3-cyclopropyl-3-hydroxybutanoate (CAS 938-14-7), with molecular formula C9H16O3 and molecular weight 172.11 g/mol. IUPAC: ethyl 3-cyclopropyl-3-hydroxybutanoate.
Chemical Property Profile of Ethyl 3-cyclopropyl-3-hydroxybutanoate
Property Insights of Ethyl 3-cyclopropyl-3-hydroxybutanoate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-cyclopropyl-3-hydroxybutanoate. With a topological polar surface area (TPSA) of 46.5 Ų, Ethyl 3-cyclopropyl-3-hydroxybutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-cyclopropyl-3-hydroxybutanoate has 1 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 Ethyl 3-cyclopropyl-3-hydroxybutanoate?
The CAS number of Ethyl 3-cyclopropyl-3-hydroxybutanoate is 938-14-7.
What is the molecular formula of Ethyl 3-cyclopropyl-3-hydroxybutanoate?
The molecular formula of Ethyl 3-cyclopropyl-3-hydroxybutanoate is C9H16O3.
What is the molecular weight of Ethyl 3-cyclopropyl-3-hydroxybutanoate?
The molecular weight of Ethyl 3-cyclopropyl-3-hydroxybutanoate is 172.11 g/mol.
Where can I buy Ethyl 3-cyclopropyl-3-hydroxybutanoate?
You can request a quote for Ethyl 3-cyclopropyl-3-hydroxybutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-cyclopropyl-3-hydroxybutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-cyclopropyl-3-hydroxybutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.