dimethyl (2R,3S)-2-bromo-3-fluorobutanedioate
TL;DR: dimethyl (2R,3S)-2-bromo-3-fluorobutanedioate (CAS 36875-34-0) is a chemical compound with molecular formula C6H8BrFO4 and molecular weight 241.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl (2R,3S)-2-bromo-3-fluorobutanedioate
Also Known As: dimethyl (2R,3S)-2-bromo-3-fluorobutanedioate, dimethyl (2R,3S)-2-bromo-3-fluoro-butanedioate, Dimethyl threo-2-bromo-3-fluorosuccinate, MESO-METHYL 2-BROMO-3-FLUOROSUCCINATE, Butanedioic acid, 2-bromo-3-fluoro-, dimethyl ester, (2R,3S)-
| Molecular Formula | C6H8BrFO4 |
|---|---|
| Molecular Weight | 241.96 g/mol |
| LogP | 0.434 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.959 |
| Heavy Atoms | 12 |
| Complexity | 164.3869 |
Chemical Identifiers
| CAS Number | 36875-34-0 |
|---|---|
| SMILES | COC(=O)[C@@H]([C@@H](C(=O)OC)Br)F |
Product Overview
dimethyl (2R,3S)-2-bromo-3-fluorobutanedioate (CAS 36875-34-0), with molecular formula C6H8BrFO4 and molecular weight 241.96 g/mol. IUPAC: dimethyl (2R,3S)-2-bromo-3-fluorobutanedioate.
Chemical Property Profile of dimethyl (2R,3S)-2-bromo-3-fluorobutanedioate
Property Insights of dimethyl (2R,3S)-2-bromo-3-fluorobutanedioate
The XLogP value of 0.434 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl (2R,3S)-2-bromo-3-fluorobutanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, dimethyl (2R,3S)-2-bromo-3-fluorobutanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, dimethyl (2R,3S)-2-bromo-3-fluorobutanedioate 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 (2R,3S)-2-bromo-3-fluorobutanedioate?
The CAS number of dimethyl (2R,3S)-2-bromo-3-fluorobutanedioate is 36875-34-0.
What is the molecular formula of dimethyl (2R,3S)-2-bromo-3-fluorobutanedioate?
The molecular formula of dimethyl (2R,3S)-2-bromo-3-fluorobutanedioate is C6H8BrFO4.
What is the molecular weight of dimethyl (2R,3S)-2-bromo-3-fluorobutanedioate?
The molecular weight of dimethyl (2R,3S)-2-bromo-3-fluorobutanedioate is 241.96 g/mol.
Where can I buy dimethyl (2R,3S)-2-bromo-3-fluorobutanedioate?
You can request a quote for dimethyl (2R,3S)-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 dimethyl (2R,3S)-2-bromo-3-fluorobutanedioate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl (2R,3S)-2-bromo-3-fluorobutanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.