4-Bromo-3-methoxy-2-butenoic acid ethyl ester
TL;DR: 4-Bromo-3-methoxy-2-butenoic acid ethyl ester (CAS 35471-25-1) is a chemical compound with molecular formula C7H11BrO3 and molecular weight 221.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-bromo-3-methoxybut-2-enoate
Also Known As: ethyl 4-bromo-3-methoxybut-2-enoate, (Z)-Ethyl 4-bromo-3-methoxybut-2-enoate, Ethyl (e)-4-bromo-3-methoxybut-2-enoate, 4-bromo-3-methoxy-2-butenoic acid ethyl ester, 2-Butenoic acid, 4-bromo-3-methoxy-, ethyl ester, (E)-
| Molecular Formula | C7H11BrO3 |
|---|---|
| Molecular Weight | 221.99 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 221.98917 |
| Heavy Atoms | 11 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 35471-25-1 |
|---|---|
| SMILES | CCOC(=O)C=C(CBr)OC |
| InChIKey | VDUBJLXKPHPSPI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromo-3-methoxy-2-butenoic acid ethyl ester (CAS 35471-25-1), with molecular formula C7H11BrO3 and molecular weight 221.99 g/mol. IUPAC: ethyl 4-bromo-3-methoxybut-2-enoate.
Chemical Property Profile of 4-Bromo-3-methoxy-2-butenoic acid ethyl ester
Property Insights of 4-Bromo-3-methoxy-2-butenoic acid ethyl ester
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-3-methoxy-2-butenoic acid ethyl ester. With a topological polar surface area (TPSA) of 35.5 Ų, 4-Bromo-3-methoxy-2-butenoic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-3-methoxy-2-butenoic acid ethyl 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 4-Bromo-3-methoxy-2-butenoic acid ethyl ester?
The CAS number of 4-Bromo-3-methoxy-2-butenoic acid ethyl ester is 35471-25-1.
What is the molecular formula of 4-Bromo-3-methoxy-2-butenoic acid ethyl ester?
The molecular formula of 4-Bromo-3-methoxy-2-butenoic acid ethyl ester is C7H11BrO3.
What is the molecular weight of 4-Bromo-3-methoxy-2-butenoic acid ethyl ester?
The molecular weight of 4-Bromo-3-methoxy-2-butenoic acid ethyl ester is 221.99 g/mol.
Where can I buy 4-Bromo-3-methoxy-2-butenoic acid ethyl ester?
You can request a quote for 4-Bromo-3-methoxy-2-butenoic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-3-methoxy-2-butenoic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-3-methoxy-2-butenoic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.