dimethyl (E)-2-bromobut-2-enedioate
TL;DR: dimethyl (E)-2-bromobut-2-enedioate (CAS 20688-29-3) is a chemical compound with molecular formula C6H7BrO4 and molecular weight 221.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl (E)-2-bromobut-2-enedioate
Also Known As: Dimethyl bromofumarate, Brommaleinsauredimethylester, dimethyl (E)-2-bromobut-2-enedioate, 2-Bromomaleic acid dimethyl ester, (E/Z)-dimethyl 2-bromobut-2-ene-1,4-dioate
| Molecular Formula | C6H7BrO4 |
|---|---|
| Molecular Weight | 221.95 g/mol |
| LogP | 0.6112 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.95277 |
| Heavy Atoms | 11 |
| Complexity | 196.75896 |
Chemical Identifiers
| CAS Number | 20688-29-3 |
|---|---|
| SMILES | COC(=O)/C=C(\C(=O)OC)/Br |
Product Overview
dimethyl (E)-2-bromobut-2-enedioate (CAS 20688-29-3), with molecular formula C6H7BrO4 and molecular weight 221.95 g/mol. IUPAC: dimethyl (E)-2-bromobut-2-enedioate.
Chemical Property Profile of dimethyl (E)-2-bromobut-2-enedioate
Property Insights of dimethyl (E)-2-bromobut-2-enedioate
The XLogP value of 0.6112 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl (E)-2-bromobut-2-enedioate. With a topological polar surface area (TPSA) of 52.6 Ų, dimethyl (E)-2-bromobut-2-enedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, dimethyl (E)-2-bromobut-2-enedioate 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 dimethyl (E)-2-bromobut-2-enedioate?
The CAS number of dimethyl (E)-2-bromobut-2-enedioate is 20688-29-3.
What is the molecular formula of dimethyl (E)-2-bromobut-2-enedioate?
The molecular formula of dimethyl (E)-2-bromobut-2-enedioate is C6H7BrO4.
What is the molecular weight of dimethyl (E)-2-bromobut-2-enedioate?
The molecular weight of dimethyl (E)-2-bromobut-2-enedioate is 221.95 g/mol.
Where can I buy dimethyl (E)-2-bromobut-2-enedioate?
You can request a quote for dimethyl (E)-2-bromobut-2-enedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl (E)-2-bromobut-2-enedioate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl (E)-2-bromobut-2-enedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.