5-甲基己-3-烯酸
TL;DR: 5-甲基己-3-烯酸 (CAS 65974-51-8) 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.
5-甲基己-3-烯酸
5-methylhex-3-enoic acid
Also Known As: 5-methylhex-3-enoic acid, (E)-5-methylhex-3-enoic acid, 3-Hexenoic acid,5-methyl, 5-METHYL-HEX-3-ENOIC ACID, 3-Hexenoic acid, 5-methyl-
| Molecular Formula | C7H12O2 |
|---|---|
| Molecular Weight | 128.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 128.08372 |
| Heavy Atoms | 9 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 65974-51-8 |
|---|---|
| SMILES | CC(C)C=CCC(=O)O |
| InChIKey | CIBMDQOEVWDTDT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-甲基己-3-烯酸 (CAS 65974-51-8), with molecular formula C7H12O2 and molecular weight 128.08 g/mol. IUPAC: 5-methylhex-3-enoic acid.
Chemical Property Profile of 5-甲基己-3-烯酸
Property Insights of 5-甲基己-3-烯酸
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-甲基己-3-烯酸. With a topological polar surface area (TPSA) of 37.3 Ų, 5-甲基己-3-烯酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-甲基己-3-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 5-甲基己-3-烯酸?
The CAS number of 5-甲基己-3-烯酸 is 65974-51-8.
What is the molecular formula of 5-甲基己-3-烯酸?
The molecular formula of 5-甲基己-3-烯酸 is C7H12O2.
What is the molecular weight of 5-甲基己-3-烯酸?
The molecular weight of 5-甲基己-3-烯酸 is 128.08 g/mol.
Where can I buy 5-甲基己-3-烯酸?
You can request a quote for 5-甲基己-3-烯酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-甲基己-3-烯酸?
Yes, KEHONG BIO provides custom synthesis services for 5-甲基己-3-烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.