![benzyl N-[(1S)-2-methyl-1-[[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-isopropyl-propyl]carbamoyl]propyl]carbamate structure](/static/products/2118/211873-69-7.webp)
benzyl N-[(1S)-2-methyl-1-[[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-isopropyl-propyl]carbamoyl]propyl]carbamate
TL;DR: benzyl N-[(1S)-2-methyl-1-[[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-isopropyl-propyl]carbamoyl]propyl]carbamate (CAS 211873-69-7) is a chemical compound with molecular formula C19H27F3N2O4 and molecular weight 404.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[(2S)-3-methyl-1-oxo-1-[[(2R,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]amino]butan-2-yl]carbamate
Also Known As: benzyl N-[(1S)-2-methyl-1-[[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-isopropyl-propyl]carbamoyl]propyl]carbamate, Cbz-L-Val-[(1S,2R)-1-Isopropyl-2-hydroxy-3,3,3-trifluoropropyl]-NH2, (2S)-2-{[(Benzyloxy)(hydroxy)methylidene]amino}-3-methyl-N-[(2R,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]butanimidic acid, (S)-2-Methyl-1-(( 1S*,2R*)-3,3,3-trifluoro-2-hydroxy-1-isopropyl-propylcarbamoyl)-propyl]-carbamic acid, benzyl ester, 2-{[(Benzyloxy)(hydroxy)methylidene]amino}-3-methyl-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)butanimidic acid
| Molecular Formula | C19H27F3N2O4 |
|---|---|
| Molecular Weight | 404.19 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 404.1923 |
| Heavy Atoms | 28 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 211873-69-7 |
|---|---|
| SMILES | CC(C)[C@@H]([C@H](C(F)(F)F)O)NC(=O)[C@H](C(C)C)NC(=O)OCC1=CC=CC=C1 |
| InChIKey | YFSAYJNPWIUUDS-HRCADAONSA-N |
Product Overview
benzyl N-[(1S)-2-methyl-1-[[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-isopropyl-propyl]carbamoyl]propyl]carbamate (CAS 211873-69-7), with molecular formula C19H27F3N2O4 and molecular weight 404.19 g/mol. IUPAC: benzyl N-[(2S)-3-methyl-1-oxo-1-[[(2R,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]amino]butan-2-yl]carbamate.
Chemical Property Profile of benzyl N-[(1S)-2-methyl-1-[[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-isopropyl-propyl]carbamoyl]propyl]carbamate
Property Insights of benzyl N-[(1S)-2-methyl-1-[[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-isopropyl-propyl]carbamoyl]propyl]carbamate
The XLogP value of 4.0 indicates that benzyl N-[(1S)-2-methyl-1-[[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-isopropyl-propyl]carbamoyl]propyl]carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for benzyl N-[(1S)-2-methyl-1-[[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-isopropyl-propyl]carbamoyl]propyl]carbamate. Following Lipinski's Rule of Five, benzyl N-[(1S)-2-methyl-1-[[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-isopropyl-propyl]carbamoyl]propyl]carbamate has 3 hydrogen bond donor(s) and 7 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 benzyl N-[(1S)-2-methyl-1-[[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-isopropyl-propyl]carbamoyl]propyl]carbamate?
The CAS number of benzyl N-[(1S)-2-methyl-1-[[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-isopropyl-propyl]carbamoyl]propyl]carbamate is 211873-69-7.
What is the molecular formula of benzyl N-[(1S)-2-methyl-1-[[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-isopropyl-propyl]carbamoyl]propyl]carbamate?
The molecular formula of benzyl N-[(1S)-2-methyl-1-[[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-isopropyl-propyl]carbamoyl]propyl]carbamate is C19H27F3N2O4.
What is the molecular weight of benzyl N-[(1S)-2-methyl-1-[[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-isopropyl-propyl]carbamoyl]propyl]carbamate?
The molecular weight of benzyl N-[(1S)-2-methyl-1-[[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-isopropyl-propyl]carbamoyl]propyl]carbamate is 404.19 g/mol.
Where can I buy benzyl N-[(1S)-2-methyl-1-[[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-isopropyl-propyl]carbamoyl]propyl]carbamate?
You can request a quote for benzyl N-[(1S)-2-methyl-1-[[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-isopropyl-propyl]carbamoyl]propyl]carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl N-[(1S)-2-methyl-1-[[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-isopropyl-propyl]carbamoyl]propyl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for benzyl N-[(1S)-2-methyl-1-[[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-isopropyl-propyl]carbamoyl]propyl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.