4-Hexenoic acid, 6-hydroxy-4-methyl-, methyl ester, (E)-
TL;DR: 4-Hexenoic acid, 6-hydroxy-4-methyl-, methyl ester, (E)- (CAS 53585-95-8) is a chemical compound with molecular formula C8H14O3 and molecular weight 158.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-hydroxy-4-methylhex-4-enoate
Also Known As: methyl 6-hydroxy-4-methylhex-4-enoate, methyl (E)-6-hydroxy-4-methylhex-4-enoate, 4-Hexenoic acid, 6-hydroxy-4-methyl-, methyl ester, (E)-, METHYL (4E)-6-HYDROXY-4-METHYLHEX-4-ENOATE, RefChem:293038
| Molecular Formula | C8H14O3 |
|---|---|
| Molecular Weight | 158.09 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 158.0943 |
| Heavy Atoms | 11 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 53585-95-8 |
|---|---|
| SMILES | CC(=CCO)CCC(=O)OC |
| InChIKey | PQOBTUTWNHKPOV-UHFFFAOYSA-N |
Product Overview
4-Hexenoic acid, 6-hydroxy-4-methyl-, methyl ester, (E)- (CAS 53585-95-8), with molecular formula C8H14O3 and molecular weight 158.09 g/mol. IUPAC: methyl 6-hydroxy-4-methylhex-4-enoate.
Chemical Property Profile of 4-Hexenoic acid, 6-hydroxy-4-methyl-, methyl ester, (E)-
Property Insights of 4-Hexenoic acid, 6-hydroxy-4-methyl-, methyl ester, (E)-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hexenoic acid, 6-hydroxy-4-methyl-, methyl ester, (E)-. With a topological polar surface area (TPSA) of 46.5 Ų, 4-Hexenoic acid, 6-hydroxy-4-methyl-, methyl ester, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hexenoic acid, 6-hydroxy-4-methyl-, methyl ester, (E)- 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 4-Hexenoic acid, 6-hydroxy-4-methyl-, methyl ester, (E)-?
The CAS number of 4-Hexenoic acid, 6-hydroxy-4-methyl-, methyl ester, (E)- is 53585-95-8.
What is the molecular formula of 4-Hexenoic acid, 6-hydroxy-4-methyl-, methyl ester, (E)-?
The molecular formula of 4-Hexenoic acid, 6-hydroxy-4-methyl-, methyl ester, (E)- is C8H14O3.
What is the molecular weight of 4-Hexenoic acid, 6-hydroxy-4-methyl-, methyl ester, (E)-?
The molecular weight of 4-Hexenoic acid, 6-hydroxy-4-methyl-, methyl ester, (E)- is 158.09 g/mol.
Where can I buy 4-Hexenoic acid, 6-hydroxy-4-methyl-, methyl ester, (E)-?
You can request a quote for 4-Hexenoic acid, 6-hydroxy-4-methyl-, methyl ester, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hexenoic acid, 6-hydroxy-4-methyl-, methyl ester, (E)-?
Yes, KEHONG BIO provides custom synthesis services for 4-Hexenoic acid, 6-hydroxy-4-methyl-, methyl ester, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.