methyl (2E)-3-methoxybut-2-enoate
TL;DR: methyl (2E)-3-methoxybut-2-enoate (CAS 35417-96-0) is a chemical compound with molecular formula C6H10O3 and molecular weight 130.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-3-methoxybut-2-enoate
Also Known As: (E)-3-Methoxy-2-butenoic acid methyl ester, methyl (E)-3-methoxybut-2-enoate, methyl 3-methoxybut-2-enoate, Methyl 3-methoxy-2-butenoate, methyl (2E)-3-methoxybut-2-enoate
| Molecular Formula | C6H10O3 |
|---|---|
| Molecular Weight | 130.06 g/mol |
| LogP | 0.7096 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 130.06299 |
| Heavy Atoms | 9 |
| Complexity | 126.26466 |
Chemical Identifiers
| CAS Number | 35417-96-0 |
|---|---|
| SMILES | C/C(=C\C(=O)OC)/OC |
Product Overview
methyl (2E)-3-methoxybut-2-enoate (CAS 35417-96-0), with molecular formula C6H10O3 and molecular weight 130.06 g/mol. IUPAC: methyl (E)-3-methoxybut-2-enoate.
Chemical Property Profile of methyl (2E)-3-methoxybut-2-enoate
Property Insights of methyl (2E)-3-methoxybut-2-enoate
The XLogP value of 0.7096 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2E)-3-methoxybut-2-enoate. With a topological polar surface area (TPSA) of 35.53 Ų, methyl (2E)-3-methoxybut-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (2E)-3-methoxybut-2-enoate has 0 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 methyl (2E)-3-methoxybut-2-enoate?
The CAS number of methyl (2E)-3-methoxybut-2-enoate is 35417-96-0.
What is the molecular formula of methyl (2E)-3-methoxybut-2-enoate?
The molecular formula of methyl (2E)-3-methoxybut-2-enoate is C6H10O3.
What is the molecular weight of methyl (2E)-3-methoxybut-2-enoate?
The molecular weight of methyl (2E)-3-methoxybut-2-enoate is 130.06 g/mol.
Where can I buy methyl (2E)-3-methoxybut-2-enoate?
You can request a quote for methyl (2E)-3-methoxybut-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (2E)-3-methoxybut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2E)-3-methoxybut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.