![(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate structure](/static/products/103/103365-47-5.webp)
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
TL;DR: (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate (CAS 103365-47-5) is a chemical compound with molecular formula C14H18NO4- and molecular weight 264.1236 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
Also Known As: Boc-?-Phe-OH, (S)-N-Boc-3-Amino-3-phenylpropanoic acid
Technical Specifications
| Molecular Formula | C14H18NO4- |
| Molecular Weight | 264.1236 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 78.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 264.1236 Da |
| Heavy Atoms | 19 |
| Complexity | 310.0 |
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C1=CC=CC=C1 |
| InChIKey | JTNQFJPZRTURSI-NSHDSACASA-M |
Chemical Property Profile of (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
Property Insights of (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate. Following Lipinski's Rule of Five, (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate 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
What is the CAS number of (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate?
The CAS number of (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate is 103365-47-5.
What is the molecular formula of (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate?
The molecular formula of (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate is C14H18NO4-.
What is the molecular weight of (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate?
The molecular weight of (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate is 264.1236 g/mol.
Where can I buy (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate?
You can request a quote for (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate?
Yes, CoreyChem provides custom synthesis services for (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.