2-乙基-4-戊炔酸
TL;DR: 2-乙基-4-戊炔酸 (CAS 245079-04-3) is a chemical compound with molecular formula C7H10O2 and molecular weight 126.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-乙基-4-戊炔酸
2-ethylpent-4-ynoic acid
Also Known As: 2-Ethyl-4-pentynoic acid, 2-ethylpent-4-ynoic acid, 4-Pentynoic acid, 2-ethyl-, 4-Pentynoic acid, 2-ethyl-, (R)-
| Molecular Formula | C7H10O2 |
|---|---|
| Molecular Weight | 126.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 126.06808 |
| Heavy Atoms | 9 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 245079-04-3 |
|---|---|
| SMILES | CCC(CC#C)C(=O)O |
| InChIKey | SCVQTLFYEQFSLX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-乙基-4-戊炔酸 (CAS 245079-04-3), with molecular formula C7H10O2 and molecular weight 126.07 g/mol. IUPAC: 2-ethylpent-4-ynoic acid.
Chemical Property Profile of 2-乙基-4-戊炔酸
Property Insights of 2-乙基-4-戊炔酸
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-乙基-4-戊炔酸. With a topological polar surface area (TPSA) of 37.3 Ų, 2-乙基-4-戊炔酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-乙基-4-戊炔酸 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 2-乙基-4-戊炔酸?
The CAS number of 2-乙基-4-戊炔酸 is 245079-04-3.
What is the molecular formula of 2-乙基-4-戊炔酸?
The molecular formula of 2-乙基-4-戊炔酸 is C7H10O2.
What is the molecular weight of 2-乙基-4-戊炔酸?
The molecular weight of 2-乙基-4-戊炔酸 is 126.07 g/mol.
Where can I buy 2-乙基-4-戊炔酸?
You can request a quote for 2-乙基-4-戊炔酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-乙基-4-戊炔酸?
Yes, KEHONG BIO provides custom synthesis services for 2-乙基-4-戊炔酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.