![Ethyl (2S)-3-phenyl-2-[[(3S)-3,4,4-trimethyldioxetan-3-yl]methoxycarbonylamino]propanoate structure](/static/products/1190/119065-82-6.webp)
Ethyl (2S)-3-phenyl-2-[[(3S)-3,4,4-trimethyldioxetan-3-yl]methoxycarbonylamino]propanoate
TL;DR: Ethyl (2S)-3-phenyl-2-[[(3S)-3,4,4-trimethyldioxetan-3-yl]methoxycarbonylamino]propanoate (CAS 119065-82-6) is a chemical compound with molecular formula C18H25NO6 and molecular weight 351.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2S)-3-phenyl-2-[[(3S)-3,4,4-trimethyldioxetan-3-yl]methoxycarbonylamino]propanoate
Also Known As: Ethyl (2S)-3-phenyl-2-[[(3S)-3,4,4-trimethyldioxetan-3-yl]methoxycarbonylamino]propanoate, ethyl n-({[(3s)-3,4,4-trimethyl-1,2-dioxetan-3-yl]methoxy}carbonyl)-l-phenylalaninate, L-Phenylalanine, N-(((3,4,4-trimethyl-1,2-dioxetan-3-yl)methoxy)carbonyl)-, ethyl ester, (S)-, Ethyl N-{hydroxy[(3,4,4-trimethyl-1,2-dioxetan-3-yl)methoxy]methylidene}phenylalaninate, Ethyl N-(hydroxy{[(3S)-3,4,4-trimethyl-1,2-dioxetan-3-yl]methoxy}methylidene)-L-phenylalaninate
| Molecular Formula | C18H25NO6 |
|---|---|
| Molecular Weight | 351.17 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 351.16818 |
| Heavy Atoms | 25 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 119065-82-6 |
|---|---|
| SMILES | CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OC[C@]2(C(OO2)(C)C)C |
| InChIKey | LLCJXZXMAXKKGC-KSSFIOAISA-N |
Product Overview
Ethyl (2S)-3-phenyl-2-[[(3S)-3,4,4-trimethyldioxetan-3-yl]methoxycarbonylamino]propanoate (CAS 119065-82-6), with molecular formula C18H25NO6 and molecular weight 351.17 g/mol. IUPAC: ethyl (2S)-3-phenyl-2-[[(3S)-3,4,4-trimethyldioxetan-3-yl]methoxycarbonylamino]propanoate.
Chemical Property Profile of Ethyl (2S)-3-phenyl-2-[[(3S)-3,4,4-trimethyldioxetan-3-yl]methoxycarbonylamino]propanoate
Property Insights of Ethyl (2S)-3-phenyl-2-[[(3S)-3,4,4-trimethyldioxetan-3-yl]methoxycarbonylamino]propanoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (2S)-3-phenyl-2-[[(3S)-3,4,4-trimethyldioxetan-3-yl]methoxycarbonylamino]propanoate. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (2S)-3-phenyl-2-[[(3S)-3,4,4-trimethyldioxetan-3-yl]methoxycarbonylamino]propanoate. Following Lipinski's Rule of Five, Ethyl (2S)-3-phenyl-2-[[(3S)-3,4,4-trimethyldioxetan-3-yl]methoxycarbonylamino]propanoate has 1 hydrogen bond donor(s) and 6 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 Ethyl (2S)-3-phenyl-2-[[(3S)-3,4,4-trimethyldioxetan-3-yl]methoxycarbonylamino]propanoate?
The CAS number of Ethyl (2S)-3-phenyl-2-[[(3S)-3,4,4-trimethyldioxetan-3-yl]methoxycarbonylamino]propanoate is 119065-82-6.
What is the molecular formula of Ethyl (2S)-3-phenyl-2-[[(3S)-3,4,4-trimethyldioxetan-3-yl]methoxycarbonylamino]propanoate?
The molecular formula of Ethyl (2S)-3-phenyl-2-[[(3S)-3,4,4-trimethyldioxetan-3-yl]methoxycarbonylamino]propanoate is C18H25NO6.
What is the molecular weight of Ethyl (2S)-3-phenyl-2-[[(3S)-3,4,4-trimethyldioxetan-3-yl]methoxycarbonylamino]propanoate?
The molecular weight of Ethyl (2S)-3-phenyl-2-[[(3S)-3,4,4-trimethyldioxetan-3-yl]methoxycarbonylamino]propanoate is 351.17 g/mol.
Where can I buy Ethyl (2S)-3-phenyl-2-[[(3S)-3,4,4-trimethyldioxetan-3-yl]methoxycarbonylamino]propanoate?
You can request a quote for Ethyl (2S)-3-phenyl-2-[[(3S)-3,4,4-trimethyldioxetan-3-yl]methoxycarbonylamino]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (2S)-3-phenyl-2-[[(3S)-3,4,4-trimethyldioxetan-3-yl]methoxycarbonylamino]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (2S)-3-phenyl-2-[[(3S)-3,4,4-trimethyldioxetan-3-yl]methoxycarbonylamino]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.