tert-Butyl 2-fluoro-3-acetoxypropylcarbamate
TL;DR: tert-Butyl 2-fluoro-3-acetoxypropylcarbamate (CAS 648900-67-8) is a chemical compound with molecular formula C10H18FNO4 and molecular weight 235.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] acetate
Also Known As: tert-Butyl 2-fluoro-3-acetoxypropylcarbamate, J1.865.693K, [2-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] acetate, 2-Fluoro-3-acetoxypropylcarbamic acid tert-butyl ester, 3-{[(tert-butoxy)carbonyl]amino}-2-fluoropropyl acetate
| Molecular Formula | C10H18FNO4 |
|---|---|
| Molecular Weight | 235.12 g/mol |
| LogP | 1.4123 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.12198 |
| Heavy Atoms | 16 |
| Complexity | 249.6938 |
Chemical Identifiers
| CAS Number | 648900-67-8 |
|---|---|
| SMILES | CC(=O)OCC(CNC(=O)OC(C)(C)C)F |
Product Overview
tert-Butyl 2-fluoro-3-acetoxypropylcarbamate (CAS 648900-67-8), with molecular formula C10H18FNO4 and molecular weight 235.12 g/mol. IUPAC: [2-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] acetate.
Chemical Property Profile of tert-Butyl 2-fluoro-3-acetoxypropylcarbamate
Property Insights of tert-Butyl 2-fluoro-3-acetoxypropylcarbamate
The XLogP value of 1.4123 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl 2-fluoro-3-acetoxypropylcarbamate. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-Butyl 2-fluoro-3-acetoxypropylcarbamate. Following Lipinski's Rule of Five, tert-Butyl 2-fluoro-3-acetoxypropylcarbamate has 1 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 tert-Butyl 2-fluoro-3-acetoxypropylcarbamate?
The CAS number of tert-Butyl 2-fluoro-3-acetoxypropylcarbamate is 648900-67-8.
What is the molecular formula of tert-Butyl 2-fluoro-3-acetoxypropylcarbamate?
The molecular formula of tert-Butyl 2-fluoro-3-acetoxypropylcarbamate is C10H18FNO4.
What is the molecular weight of tert-Butyl 2-fluoro-3-acetoxypropylcarbamate?
The molecular weight of tert-Butyl 2-fluoro-3-acetoxypropylcarbamate is 235.12 g/mol.
Where can I buy tert-Butyl 2-fluoro-3-acetoxypropylcarbamate?
You can request a quote for tert-Butyl 2-fluoro-3-acetoxypropylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl 2-fluoro-3-acetoxypropylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl 2-fluoro-3-acetoxypropylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.