Dimethyl 2-bromo-3-fluoropentanedioate
TL;DR: Dimethyl 2-bromo-3-fluoropentanedioate (CAS 62216-38-0) is a chemical compound with molecular formula C7H10BrFO4 and molecular weight 255.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-bromo-3-fluoropentanedioate
Also Known As: dimethyl 2-bromo-3-fluoropentanedioate, dimethyl 2-bromo-3-fluoro-pentanedioate, METHYL 2-BROMO-3-FLUOROGLUTARATE, Pentanedioic acid, 2-bromo-3-fluoro-, dimethyl ester, Pentanedioicacid,2-bromo-3-fluoro-,dimethylester
| Molecular Formula | C7H10BrFO4 |
|---|---|
| Molecular Weight | 255.97 g/mol |
| LogP | 0.8241 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 255.97466 |
| Heavy Atoms | 13 |
| Complexity | 196.93156 |
Chemical Identifiers
| CAS Number | 62216-38-0 |
|---|---|
| SMILES | COC(=O)CC(C(C(=O)OC)Br)F |
Product Overview
Dimethyl 2-bromo-3-fluoropentanedioate (CAS 62216-38-0), with molecular formula C7H10BrFO4 and molecular weight 255.97 g/mol. IUPAC: dimethyl 2-bromo-3-fluoropentanedioate.
Chemical Property Profile of Dimethyl 2-bromo-3-fluoropentanedioate
Property Insights of Dimethyl 2-bromo-3-fluoropentanedioate
The XLogP value of 0.8241 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-bromo-3-fluoropentanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 2-bromo-3-fluoropentanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 2-bromo-3-fluoropentanedioate 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 2-bromo-3-fluoropentanedioate?
The CAS number of Dimethyl 2-bromo-3-fluoropentanedioate is 62216-38-0.
What is the molecular formula of Dimethyl 2-bromo-3-fluoropentanedioate?
The molecular formula of Dimethyl 2-bromo-3-fluoropentanedioate is C7H10BrFO4.
What is the molecular weight of Dimethyl 2-bromo-3-fluoropentanedioate?
The molecular weight of Dimethyl 2-bromo-3-fluoropentanedioate is 255.97 g/mol.
Where can I buy Dimethyl 2-bromo-3-fluoropentanedioate?
You can request a quote for Dimethyl 2-bromo-3-fluoropentanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-bromo-3-fluoropentanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-bromo-3-fluoropentanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.