![2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(3-fluorophenyl)propanoate structure](/static/products/114/114873-01-7.png)
2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(3-fluorophenyl)propanoate
TL;DR: 2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(3-fluorophenyl)propanoate (CAS 114873-01-7) is a chemical compound with molecular formula C14H17FNO4- and molecular weight 282.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Also Known As: Boc-L-3-Fluorophenylalanine, 2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(3-fluorophenyl)propanoate, (2S)-2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(3-fluorophenyl)propanoate, (2S)-3-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
| Molecular Formula | C14H17FNO4- |
|---|---|
| Molecular Weight | 282.11 g/mol |
| LogP | 1.0114 |
| Topological Polar Surface Area | 78.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.11417 |
| Heavy Atoms | 20 |
| Complexity | 496.1924 |
Chemical Identifiers
| CAS Number | 114873-01-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CC(=CC=C1)F)C(=O)[O-] |
Product Overview
2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(3-fluorophenyl)propanoate (CAS 114873-01-7), with molecular formula C14H17FNO4- and molecular weight 282.11 g/mol. IUPAC: (2S)-3-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
Chemical Property Profile of 2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(3-fluorophenyl)propanoate
Property Insights of 2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(3-fluorophenyl)propanoate
The XLogP value of 1.0114 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(3-fluorophenyl)propanoate. The TPSA of 78.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(3-fluorophenyl)propanoate. Following Lipinski's Rule of Five, 2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(3-fluorophenyl)propanoate 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 2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(3-fluorophenyl)propanoate?
The CAS number of 2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(3-fluorophenyl)propanoate is 114873-01-7.
What is the molecular formula of 2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(3-fluorophenyl)propanoate?
The molecular formula of 2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(3-fluorophenyl)propanoate is C14H17FNO4-.
What is the molecular weight of 2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(3-fluorophenyl)propanoate?
The molecular weight of 2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(3-fluorophenyl)propanoate is 282.11 g/mol.
Where can I buy 2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(3-fluorophenyl)propanoate?
You can request a quote for 2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(3-fluorophenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(3-fluorophenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(3-fluorophenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.