2-Butenoic acid, 3-methoxy-, methyl ester
TL;DR: 2-Butenoic acid, 3-methoxy-, methyl ester (CAS 22157-30-8) 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 3-methoxybut-2-enoate
Also Known As: methyl 3-methoxybut-2-enoate, 3-methoxycrotonate, Methyl 3-methoxy-2-butenoate, CH3C(OCH3)=CHCOOCH3, methyl (E)-3-methoxybut-2-enoate
| Molecular Formula | C6H10O3 |
|---|---|
| Molecular Weight | 130.06 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 130.06299 |
| Heavy Atoms | 9 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 22157-30-8 |
|---|---|
| SMILES | CC(=CC(=O)OC)OC |
| InChIKey | RJSHZZLJYZOHRU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butenoic acid, 3-methoxy-, methyl ester (CAS 22157-30-8), with molecular formula C6H10O3 and molecular weight 130.06 g/mol. IUPAC: methyl 3-methoxybut-2-enoate.
Chemical Property Profile of 2-Butenoic acid, 3-methoxy-, methyl ester
Property Insights of 2-Butenoic acid, 3-methoxy-, methyl ester
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenoic acid, 3-methoxy-, methyl ester. With a topological polar surface area (TPSA) of 35.5 Ų, 2-Butenoic acid, 3-methoxy-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenoic acid, 3-methoxy-, methyl ester 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 2-Butenoic acid, 3-methoxy-, methyl ester?
The CAS number of 2-Butenoic acid, 3-methoxy-, methyl ester is 22157-30-8.
What is the molecular formula of 2-Butenoic acid, 3-methoxy-, methyl ester?
The molecular formula of 2-Butenoic acid, 3-methoxy-, methyl ester is C6H10O3.
What is the molecular weight of 2-Butenoic acid, 3-methoxy-, methyl ester?
The molecular weight of 2-Butenoic acid, 3-methoxy-, methyl ester is 130.06 g/mol.
Where can I buy 2-Butenoic acid, 3-methoxy-, methyl ester?
You can request a quote for 2-Butenoic acid, 3-methoxy-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenoic acid, 3-methoxy-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid, 3-methoxy-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.