Ethyl 4-bromo-3-methoxybut-2-enoate
TL;DR: Ethyl 4-bromo-3-methoxybut-2-enoate (CAS 1116-51-4) 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 (Z)-4-bromo-3-methoxybut-2-enoate
Also Known As: ethyl 4-bromo-3-methoxybut-2-enoate, ethyl (Z)-4-bromo-3-methoxybut-2-enoate, 4-bromo-3-methoxy-2-butenoic acid ethyl ester, Ethyl (2Z)-4-bromo-3-methoxy-2-butenoate #, 2-Butenoic acid, 4-bromo-3-methoxy-, ethyl ester
| Molecular Formula | C7H11BrO3 |
|---|---|
| Molecular Weight | 221.99 g/mol |
| LogP | 1.4747 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.98917 |
| Heavy Atoms | 11 |
| Complexity | 147.76468 |
Chemical Identifiers
| CAS Number | 1116-51-4 |
|---|---|
| SMILES | CCOC(=O)/C=C(/CBr)\OC |
Product Overview
Ethyl 4-bromo-3-methoxybut-2-enoate (CAS 1116-51-4), with molecular formula C7H11BrO3 and molecular weight 221.99 g/mol. IUPAC: ethyl (Z)-4-bromo-3-methoxybut-2-enoate.
Chemical Property Profile of Ethyl 4-bromo-3-methoxybut-2-enoate
Property Insights of Ethyl 4-bromo-3-methoxybut-2-enoate
The XLogP value of 1.4747 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-bromo-3-methoxybut-2-enoate. With a topological polar surface area (TPSA) of 35.53 Ų, Ethyl 4-bromo-3-methoxybut-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-bromo-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 Ethyl 4-bromo-3-methoxybut-2-enoate?
The CAS number of Ethyl 4-bromo-3-methoxybut-2-enoate is 1116-51-4.
What is the molecular formula of Ethyl 4-bromo-3-methoxybut-2-enoate?
The molecular formula of Ethyl 4-bromo-3-methoxybut-2-enoate is C7H11BrO3.
What is the molecular weight of Ethyl 4-bromo-3-methoxybut-2-enoate?
The molecular weight of Ethyl 4-bromo-3-methoxybut-2-enoate is 221.99 g/mol.
Where can I buy Ethyl 4-bromo-3-methoxybut-2-enoate?
You can request a quote for Ethyl 4-bromo-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 Ethyl 4-bromo-3-methoxybut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-bromo-3-methoxybut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.