4-Pentenoic acid, 2,4-dimethyl-, methyl ester
TL;DR: 4-Pentenoic acid, 2,4-dimethyl-, methyl ester (CAS 34998-29-3) is a chemical compound with molecular formula C8H14O2 and molecular weight 142.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,4-dimethylpent-4-enoate
Also Known As: Methyl 2,4-dimethyl-4-pentenoate, Methyl 2,4-dimethylpent-4-enoate, Methyl 2,4-dimethyl-4-pentenoate #, 2,4-Dimethyl-4-pentenoic acid methyl ester, 4-Pentenoic acid, 2,4-dimethyl-, methyl ester
| Molecular Formula | C8H14O2 |
|---|---|
| Molecular Weight | 142.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 142.09938 |
| Heavy Atoms | 10 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 34998-29-3 |
|---|---|
| SMILES | CC(CC(=C)C)C(=O)OC |
| InChIKey | SVPJBXJTEXHRMB-UHFFFAOYSA-N |
Product Overview
4-Pentenoic acid, 2,4-dimethyl-, methyl ester (CAS 34998-29-3), with molecular formula C8H14O2 and molecular weight 142.10 g/mol. IUPAC: methyl 2,4-dimethylpent-4-enoate.
Chemical Property Profile of 4-Pentenoic acid, 2,4-dimethyl-, methyl ester
Property Insights of 4-Pentenoic acid, 2,4-dimethyl-, methyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pentenoic acid, 2,4-dimethyl-, methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Pentenoic acid, 2,4-dimethyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Pentenoic acid, 2,4-dimethyl-, methyl ester has 0 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-Pentenoic acid, 2,4-dimethyl-, methyl ester?
The CAS number of 4-Pentenoic acid, 2,4-dimethyl-, methyl ester is 34998-29-3.
What is the molecular formula of 4-Pentenoic acid, 2,4-dimethyl-, methyl ester?
The molecular formula of 4-Pentenoic acid, 2,4-dimethyl-, methyl ester is C8H14O2.
What is the molecular weight of 4-Pentenoic acid, 2,4-dimethyl-, methyl ester?
The molecular weight of 4-Pentenoic acid, 2,4-dimethyl-, methyl ester is 142.10 g/mol.
Where can I buy 4-Pentenoic acid, 2,4-dimethyl-, methyl ester?
You can request a quote for 4-Pentenoic acid, 2,4-dimethyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pentenoic acid, 2,4-dimethyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Pentenoic acid, 2,4-dimethyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.