![Methyl 3-(4-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate structure](/static/products/298/298693-79-5.png)
Methyl 3-(4-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
TL;DR: Methyl 3-(4-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CAS 298693-79-5) is a chemical compound with molecular formula C16H20N2O4 and molecular weight 304.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Also Known As: (S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-(4-cyanophenyl)propanoate, methyl (2S)-3-(4-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate, Methyl 3-(4-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
| Molecular Formula | C16H20N2O4 |
|---|---|
| Molecular Weight | 304.14 g/mol |
| LogP | 2.16708 |
| Topological Polar Surface Area | 88.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.1423 |
| Heavy Atoms | 22 |
| Complexity | 567.294 |
Chemical Identifiers
| CAS Number | 298693-79-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)C#N)C(=O)OC |
Product Overview
Methyl 3-(4-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CAS 298693-79-5), with molecular formula C16H20N2O4 and molecular weight 304.14 g/mol. IUPAC: methyl 3-(4-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
Chemical Property Profile of Methyl 3-(4-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Property Insights of Methyl 3-(4-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
The XLogP value of 2.16708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(4-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate. The TPSA of 88.42 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(4-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate. Following Lipinski's Rule of Five, Methyl 3-(4-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has 1 hydrogen bond donor(s) and 5 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 Methyl 3-(4-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The CAS number of Methyl 3-(4-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is 298693-79-5.
What is the molecular formula of Methyl 3-(4-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The molecular formula of Methyl 3-(4-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is C16H20N2O4.
What is the molecular weight of Methyl 3-(4-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The molecular weight of Methyl 3-(4-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is 304.14 g/mol.
Where can I buy Methyl 3-(4-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
You can request a quote for Methyl 3-(4-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(4-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(4-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.