![2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(2-methylphenyl)propanoate structure](/static/products/139/139558-50-2.png)
2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(2-methylphenyl)propanoate
TL;DR: 2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(2-methylphenyl)propanoate (CAS 139558-50-2) is a chemical compound with molecular formula C15H20NO4- and molecular weight 278.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-(2-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Also Known As: 2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(2-methylphenyl)propanoate, (2S)-2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(2-methylphenyl)propanoate, (2S)-3-(2-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
| Molecular Formula | C15H20NO4- |
|---|---|
| Molecular Weight | 278.14 g/mol |
| LogP | 1.18072 |
| Topological Polar Surface Area | 78.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.13922 |
| Heavy Atoms | 20 |
| Complexity | 490.89203 |
Chemical Identifiers
| CAS Number | 139558-50-2 |
|---|---|
| SMILES | CC1=CC=CC=C1C[C@@H](C(=O)[O-])NC(=O)OC(C)(C)C |
Product Overview
2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(2-methylphenyl)propanoate (CAS 139558-50-2), with molecular formula C15H20NO4- and molecular weight 278.14 g/mol. IUPAC: (2S)-3-(2-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
Chemical Property Profile of 2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(2-methylphenyl)propanoate
Property Insights of 2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(2-methylphenyl)propanoate
The XLogP value of 1.18072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(2-methylphenyl)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-(2-methylphenyl)propanoate. Following Lipinski's Rule of Five, 2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(2-methylphenyl)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-(2-methylphenyl)propanoate?
The CAS number of 2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(2-methylphenyl)propanoate is 139558-50-2.
What is the molecular formula of 2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(2-methylphenyl)propanoate?
The molecular formula of 2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(2-methylphenyl)propanoate is C15H20NO4-.
What is the molecular weight of 2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(2-methylphenyl)propanoate?
The molecular weight of 2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(2-methylphenyl)propanoate is 278.14 g/mol.
Where can I buy 2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(2-methylphenyl)propanoate?
You can request a quote for 2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(2-methylphenyl)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-(2-methylphenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-{[tert-Butoxy(hydroxy)methylidene]amino}-3-(2-methylphenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.