Methyl 2-acetyl-3-ethoxypent-4-ynoate
TL;DR: Methyl 2-acetyl-3-ethoxypent-4-ynoate (CAS 343333-28-8) is a chemical compound with molecular formula C10H14O4 and molecular weight 198.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-acetyl-3-ethoxypent-4-ynoate
Also Known As: methyl 2-acetyl-3-ethoxypent-4-ynoate, ZERO/004959, 3-carbomethoxy-4-ethoxy-5-hexyn-2-one, methyl 2-acetyl-3-ethoxy-pent-4-ynoate, METHYL 2-ACETYL-3-ETHOXY-4-PENTYNOATE
| Molecular Formula | C10H14O4 |
|---|---|
| Molecular Weight | 198.09 g/mol |
| LogP | 0.4029 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 198.0892 |
| Heavy Atoms | 14 |
| Complexity | 251.33784 |
Chemical Identifiers
| CAS Number | 343333-28-8 |
|---|---|
| SMILES | CCOC(C#C)C(C(=O)C)C(=O)OC |
Product Overview
Methyl 2-acetyl-3-ethoxypent-4-ynoate (CAS 343333-28-8), with molecular formula C10H14O4 and molecular weight 198.09 g/mol. IUPAC: methyl 2-acetyl-3-ethoxypent-4-ynoate.
Chemical Property Profile of Methyl 2-acetyl-3-ethoxypent-4-ynoate
Property Insights of Methyl 2-acetyl-3-ethoxypent-4-ynoate
The XLogP value of 0.4029 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-acetyl-3-ethoxypent-4-ynoate. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl 2-acetyl-3-ethoxypent-4-ynoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-acetyl-3-ethoxypent-4-ynoate has 0 hydrogen bond donor(s) and 4 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 Methyl 2-acetyl-3-ethoxypent-4-ynoate?
The CAS number of Methyl 2-acetyl-3-ethoxypent-4-ynoate is 343333-28-8.
What is the molecular formula of Methyl 2-acetyl-3-ethoxypent-4-ynoate?
The molecular formula of Methyl 2-acetyl-3-ethoxypent-4-ynoate is C10H14O4.
What is the molecular weight of Methyl 2-acetyl-3-ethoxypent-4-ynoate?
The molecular weight of Methyl 2-acetyl-3-ethoxypent-4-ynoate is 198.09 g/mol.
Where can I buy Methyl 2-acetyl-3-ethoxypent-4-ynoate?
You can request a quote for Methyl 2-acetyl-3-ethoxypent-4-ynoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-acetyl-3-ethoxypent-4-ynoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-acetyl-3-ethoxypent-4-ynoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.