diethyl (2R,3R)-2-bromo-3-fluorobutanedioate
TL;DR: diethyl (2R,3R)-2-bromo-3-fluorobutanedioate (CAS 36875-36-2) 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 (2R,3R)-2-bromo-3-fluorobutanedioate
Also Known As: diethyl (2R,3R)-2-bromo-3-fluorobutanedioate, Butanedioic acid,diethyl ester,(R*,R*), Butanedioic acid, diethyl ester, (R*,R*)-, DIETHYL (2R,3R)-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 | 36875-36-2 |
|---|---|
| SMILES | CCOC(=O)[C@H]([C@@H](C(=O)OCC)Br)F |
| InChIKey | GGXJBZZXMDFAST-WDSKDSINSA-N |
Product Overview
diethyl (2R,3R)-2-bromo-3-fluorobutanedioate (CAS 36875-36-2), with molecular formula C8H12BrFO4 and molecular weight 269.99 g/mol. IUPAC: diethyl (2R,3R)-2-bromo-3-fluorobutanedioate.
Chemical Property Profile of diethyl (2R,3R)-2-bromo-3-fluorobutanedioate
Property Insights of diethyl (2R,3R)-2-bromo-3-fluorobutanedioate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl (2R,3R)-2-bromo-3-fluorobutanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, diethyl (2R,3R)-2-bromo-3-fluorobutanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, diethyl (2R,3R)-2-bromo-3-fluorobutanedioate 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 diethyl (2R,3R)-2-bromo-3-fluorobutanedioate?
The CAS number of diethyl (2R,3R)-2-bromo-3-fluorobutanedioate is 36875-36-2.
What is the molecular formula of diethyl (2R,3R)-2-bromo-3-fluorobutanedioate?
The molecular formula of diethyl (2R,3R)-2-bromo-3-fluorobutanedioate is C8H12BrFO4.
What is the molecular weight of diethyl (2R,3R)-2-bromo-3-fluorobutanedioate?
The molecular weight of diethyl (2R,3R)-2-bromo-3-fluorobutanedioate is 269.99 g/mol.
Where can I buy diethyl (2R,3R)-2-bromo-3-fluorobutanedioate?
You can request a quote for diethyl (2R,3R)-2-bromo-3-fluorobutanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl (2R,3R)-2-bromo-3-fluorobutanedioate?
Yes, KEHONG BIO provides custom synthesis services for diethyl (2R,3R)-2-bromo-3-fluorobutanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.