2-Pentenoic acid, 4-hydroxy-4-methyl-, methyl ester, (2E)-
TL;DR: 2-Pentenoic acid, 4-hydroxy-4-methyl-, methyl ester, (2E)- (CAS 5739-83-3) is a chemical compound with molecular formula C7H12O3 and molecular weight 144.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-4-hydroxy-4-methylpent-2-enoate
Also Known As: DIRECT YELLOW 44, EINECS 227-253-1, 2-Pentenoic acid, 4-hydroxy-4-methyl-, methyl ester, (2E)-, Methyl (E)-4-hydroxy-4-methylpent-2-en-1-oate, methyl (E)-4-hydroxy-4-methylpent-2-enoate
| Molecular Formula | C7H12O3 |
|---|---|
| Molecular Weight | 144.08 g/mol |
| LogP | 0.4865 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 144.07864 |
| Heavy Atoms | 10 |
| Complexity | 141.42044 |
Chemical Identifiers
| CAS Number | 5739-83-3 |
|---|---|
| SMILES | CC(C)(/C=C/C(=O)OC)O |
Product Overview
2-Pentenoic acid, 4-hydroxy-4-methyl-, methyl ester, (2E)- (CAS 5739-83-3), with molecular formula C7H12O3 and molecular weight 144.08 g/mol. IUPAC: methyl (E)-4-hydroxy-4-methylpent-2-enoate.
Chemical Property Profile of 2-Pentenoic acid, 4-hydroxy-4-methyl-, methyl ester, (2E)-
Property Insights of 2-Pentenoic acid, 4-hydroxy-4-methyl-, methyl ester, (2E)-
The XLogP value of 0.4865 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pentenoic acid, 4-hydroxy-4-methyl-, methyl ester, (2E)-. With a topological polar surface area (TPSA) of 46.53 Ų, 2-Pentenoic acid, 4-hydroxy-4-methyl-, methyl ester, (2E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pentenoic acid, 4-hydroxy-4-methyl-, methyl ester, (2E)- 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 2-Pentenoic acid, 4-hydroxy-4-methyl-, methyl ester, (2E)-?
The CAS number of 2-Pentenoic acid, 4-hydroxy-4-methyl-, methyl ester, (2E)- is 5739-83-3.
What is the molecular formula of 2-Pentenoic acid, 4-hydroxy-4-methyl-, methyl ester, (2E)-?
The molecular formula of 2-Pentenoic acid, 4-hydroxy-4-methyl-, methyl ester, (2E)- is C7H12O3.
What is the molecular weight of 2-Pentenoic acid, 4-hydroxy-4-methyl-, methyl ester, (2E)-?
The molecular weight of 2-Pentenoic acid, 4-hydroxy-4-methyl-, methyl ester, (2E)- is 144.08 g/mol.
Where can I buy 2-Pentenoic acid, 4-hydroxy-4-methyl-, methyl ester, (2E)-?
You can request a quote for 2-Pentenoic acid, 4-hydroxy-4-methyl-, methyl ester, (2E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pentenoic acid, 4-hydroxy-4-methyl-, methyl ester, (2E)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Pentenoic acid, 4-hydroxy-4-methyl-, methyl ester, (2E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.