4-甲基-3-戊烯酸
TL;DR: 4-甲基-3-戊烯酸 (CAS 504-85-8) is a chemical compound with molecular formula C6H10O2 and molecular weight 114.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-甲基-3-戊烯酸
4-methylpent-3-enoic acid
Also Known As: 4-methylpent-3-enoic acid, 4-Methyl-3-pentenoic acid, Pyroterebic acid, Pyroterebate, 3-Pentenoic acid, 4-methyl-
| Molecular Formula | C6H10O2 |
|---|---|
| Molecular Weight | 114.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 114.06808 |
| Heavy Atoms | 8 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 504-85-8 |
|---|---|
| SMILES | CC(=CCC(=O)O)C |
| InChIKey | CQJHAULYLJXJNL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-甲基-3-戊烯酸 (CAS 504-85-8), with molecular formula C6H10O2 and molecular weight 114.07 g/mol. IUPAC: 4-methylpent-3-enoic acid.
Chemical Property Profile of 4-甲基-3-戊烯酸
Property Insights of 4-甲基-3-戊烯酸
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-甲基-3-戊烯酸. With a topological polar surface area (TPSA) of 37.3 Ų, 4-甲基-3-戊烯酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-甲基-3-戊烯酸 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 4-甲基-3-戊烯酸?
The CAS number of 4-甲基-3-戊烯酸 is 504-85-8.
What is the molecular formula of 4-甲基-3-戊烯酸?
The molecular formula of 4-甲基-3-戊烯酸 is C6H10O2.
What is the molecular weight of 4-甲基-3-戊烯酸?
The molecular weight of 4-甲基-3-戊烯酸 is 114.07 g/mol.
Where can I buy 4-甲基-3-戊烯酸?
You can request a quote for 4-甲基-3-戊烯酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲基-3-戊烯酸?
Yes, KEHONG BIO provides custom synthesis services for 4-甲基-3-戊烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.