![(2S)-3-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate structure](/static/products/680/68090-88-0.png)
(2S)-3-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
TL;DR: (2S)-3-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CAS 68090-88-0) is a chemical compound with molecular formula C14H17ClNO4- and molecular weight 298.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Also Known As: Boc-L-4-Chlorophenylalanine, Boc-4-chloro-L-phenylalanine
| Molecular Formula | C14H17ClNO4- |
|---|---|
| Molecular Weight | 298.08 g/mol |
| LogP | 1.5257 |
| Topological Polar Surface Area | 78.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.08463 |
| Heavy Atoms | 20 |
| Complexity | 478.9424 |
Chemical Identifiers
| CAS Number | 68090-88-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)Cl)C(=O)[O-] |
Product Overview
(2S)-3-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CAS 68090-88-0), with molecular formula C14H17ClNO4- and molecular weight 298.08 g/mol. IUPAC: (2S)-3-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
Chemical Property Profile of (2S)-3-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Property Insights of (2S)-3-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
The XLogP value of 1.5257 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-3-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate. The TPSA of 78.46 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-3-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate. Following Lipinski's Rule of Five, (2S)-3-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]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 (2S)-3-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The CAS number of (2S)-3-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is 68090-88-0.
What is the molecular formula of (2S)-3-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The molecular formula of (2S)-3-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is C14H17ClNO4-.
What is the molecular weight of (2S)-3-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The molecular weight of (2S)-3-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is 298.08 g/mol.
Where can I buy (2S)-3-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
You can request a quote for (2S)-3-(4-chlorophenyl)-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 (2S)-3-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
Yes, KEHONG BIO provides custom synthesis services for (2S)-3-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.