Butanedioic acid, 2-bromo-3-fluoro-, diethyl ester
TL;DR: Butanedioic acid, 2-bromo-3-fluoro-, diethyl ester (CAS 685-80-3) is a chemical compound with molecular formula C8H12BrFO4 and molecular weight 269.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-bromo-3-fluorobutanedioate
Also Known As: Diethyl 2-bromo-3-fluorosuccinate, diethyl 2-bromo-3-fluorobutanedioate, Butanedioic acid, diethyl ester, Butanedioic acid, 2-bromo-3-fluoro-, diethyl ester, diethyl 2-bromo-3-fluoro-butanedioate
| Molecular Formula | C8H12BrFO4 |
|---|---|
| Molecular Weight | 269.99 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 269.9903 |
| Heavy Atoms | 14 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 685-80-3 |
|---|---|
| SMILES | CCOC(=O)C(C(C(=O)OCC)Br)F |
| InChIKey | GGXJBZZXMDFAST-UHFFFAOYSA-N |
Product Overview
Butanedioic acid, 2-bromo-3-fluoro-, diethyl ester (CAS 685-80-3), with molecular formula C8H12BrFO4 and molecular weight 269.99 g/mol. IUPAC: diethyl 2-bromo-3-fluorobutanedioate.
Chemical Property Profile of Butanedioic acid, 2-bromo-3-fluoro-, diethyl ester
Property Insights of Butanedioic acid, 2-bromo-3-fluoro-, diethyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanedioic acid, 2-bromo-3-fluoro-, diethyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, Butanedioic acid, 2-bromo-3-fluoro-, diethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanedioic acid, 2-bromo-3-fluoro-, diethyl ester has 0 hydrogen bond donor(s) and 5 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 Butanedioic acid, 2-bromo-3-fluoro-, diethyl ester?
The CAS number of Butanedioic acid, 2-bromo-3-fluoro-, diethyl ester is 685-80-3.
What is the molecular formula of Butanedioic acid, 2-bromo-3-fluoro-, diethyl ester?
The molecular formula of Butanedioic acid, 2-bromo-3-fluoro-, diethyl ester is C8H12BrFO4.
What is the molecular weight of Butanedioic acid, 2-bromo-3-fluoro-, diethyl ester?
The molecular weight of Butanedioic acid, 2-bromo-3-fluoro-, diethyl ester is 269.99 g/mol.
Where can I buy Butanedioic acid, 2-bromo-3-fluoro-, diethyl ester?
You can request a quote for Butanedioic acid, 2-bromo-3-fluoro-, diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanedioic acid, 2-bromo-3-fluoro-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid, 2-bromo-3-fluoro-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.