2-Carbamoyl-2-fluoro-3-methylbutanoic acid
TL;DR: 2-Carbamoyl-2-fluoro-3-methylbutanoic acid (CAS 21280-40-0) is a chemical compound with molecular formula C6H10FNO3 and molecular weight 163.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-carbamoyl-2-fluoro-3-methylbutanoic acid
Also Known As: 2-carbamoyl-2-fluoro-3-methylbutanoic acid, NCIOpen2_000990, 2-(Aminocarbonyl)-2-fluoro-3-methylbutanoic acid, 2-carbamoyl-2-fluoro-3-methyl-butanoic acid, Butanoic acid, 2-(aminocarbonyl)-2-fluoro-3-methyl-
| Molecular Formula | C6H10FNO3 |
|---|---|
| Molecular Weight | 163.06 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 80.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 163.06447 |
| Heavy Atoms | 11 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 21280-40-0 |
|---|---|
| SMILES | CC(C)C(C(=O)N)(C(=O)O)F |
| InChIKey | ZXJNLZYXUPULPR-UHFFFAOYSA-N |
Product Overview
2-Carbamoyl-2-fluoro-3-methylbutanoic acid (CAS 21280-40-0), with molecular formula C6H10FNO3 and molecular weight 163.06 g/mol. IUPAC: 2-carbamoyl-2-fluoro-3-methylbutanoic acid.
Chemical Property Profile of 2-Carbamoyl-2-fluoro-3-methylbutanoic acid
Property Insights of 2-Carbamoyl-2-fluoro-3-methylbutanoic acid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Carbamoyl-2-fluoro-3-methylbutanoic acid. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Carbamoyl-2-fluoro-3-methylbutanoic acid. Following Lipinski's Rule of Five, 2-Carbamoyl-2-fluoro-3-methylbutanoic acid has 2 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 2-Carbamoyl-2-fluoro-3-methylbutanoic acid?
The CAS number of 2-Carbamoyl-2-fluoro-3-methylbutanoic acid is 21280-40-0.
What is the molecular formula of 2-Carbamoyl-2-fluoro-3-methylbutanoic acid?
The molecular formula of 2-Carbamoyl-2-fluoro-3-methylbutanoic acid is C6H10FNO3.
What is the molecular weight of 2-Carbamoyl-2-fluoro-3-methylbutanoic acid?
The molecular weight of 2-Carbamoyl-2-fluoro-3-methylbutanoic acid is 163.06 g/mol.
Where can I buy 2-Carbamoyl-2-fluoro-3-methylbutanoic acid?
You can request a quote for 2-Carbamoyl-2-fluoro-3-methylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Carbamoyl-2-fluoro-3-methylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Carbamoyl-2-fluoro-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.