3-乙基环丁烷甲酸
TL;DR: 3-乙基环丁烷甲酸 (CAS 66016-16-8) is a chemical compound with molecular formula C7H12O2 and molecular weight 128.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-乙基环丁烷甲酸
3-ethylcyclobutane-1-carboxylic acid
Also Known As: 3-Ethylcyclobutanecarboxylic acid, 3-ethylcyclobutane-1-carboxylic acid, 3-Ethyl-cyclobutanecarboxylic acid, 3-Ethyl cyclobutanecarboxylic acid, 3-Ethylcyclobutanecarboxylicacid
| Molecular Formula | C7H12O2 |
|---|---|
| Molecular Weight | 128.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 128.08372 |
| Heavy Atoms | 9 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 66016-16-8 |
|---|---|
| SMILES | CCC1CC(C1)C(=O)O |
| InChIKey | KHJZSHCMTBYQFG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-乙基环丁烷甲酸 (CAS 66016-16-8), with molecular formula C7H12O2 and molecular weight 128.08 g/mol. IUPAC: 3-ethylcyclobutane-1-carboxylic acid.
Chemical Property Profile of 3-乙基环丁烷甲酸
Property Insights of 3-乙基环丁烷甲酸
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-乙基环丁烷甲酸. With a topological polar surface area (TPSA) of 37.3 Ų, 3-乙基环丁烷甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-乙基环丁烷甲酸 has 1 hydrogen bond donor(s) and 2 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 3-乙基环丁烷甲酸?
The CAS number of 3-乙基环丁烷甲酸 is 66016-16-8.
What is the molecular formula of 3-乙基环丁烷甲酸?
The molecular formula of 3-乙基环丁烷甲酸 is C7H12O2.
What is the molecular weight of 3-乙基环丁烷甲酸?
The molecular weight of 3-乙基环丁烷甲酸 is 128.08 g/mol.
Where can I buy 3-乙基环丁烷甲酸?
You can request a quote for 3-乙基环丁烷甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-乙基环丁烷甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-乙基环丁烷甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.