Difluorostatone deriv.
TL;DR: Difluorostatone deriv. (CAS 126333-36-6) is a chemical compound with molecular formula C36H54F2N6O11 and molecular weight 784.38184 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S)-2-[[(2S)-2-[[(4S)-2,2-difluoro-4-[[(2S)-2-[[(2S)-2-[[(2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-oxo-5-phenylpentanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate
Also Known As: Difluorostatone deriv., Boc-SAA-13-VV-OMe, Difluorostatone analog(Boc-SAA-XIII-VV-OMe), L-Valine, N-(N-(4-((N-(N-(N-((1,1-dimethylethoxy)carbonyl)-L-seryl)-L-alanyl)-L-alanyl)amino)-2,2-difluoro-1,3-dioxo-5-phenylpentyl)-L-valyl)-, methyl ester, (S)-, Boc-Ser-Ala-Ala-(4S)-4-amino-2,2-difluoro-3-oxo-5-phenylpentanoyl-Val-Val-O-methyl ester
Technical Specifications
| Molecular Formula | C36H54F2N6O11 |
| Molecular Weight | 784.38184 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 247.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 22 |
| Exact Mass | 784.38184 Da |
| Heavy Atoms | 55 |
| Complexity | 1380.0 |
| SMILES | C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)C(C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)(F)F)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C |
| InChIKey | ULKDBDNEPITDCM-IRAXVNTPSA-N |
Chemical Property Profile of Difluorostatone deriv.
Property Insights of Difluorostatone deriv.
The XLogP value of 3.0 indicates that Difluorostatone deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 247.0 Ų indicates high polarity, suggesting Difluorostatone deriv. may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Difluorostatone deriv. has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Difluorostatone deriv.?
The CAS number of Difluorostatone deriv. is 126333-36-6.
What is the molecular formula of Difluorostatone deriv.?
The molecular formula of Difluorostatone deriv. is C36H54F2N6O11.
What is the molecular weight of Difluorostatone deriv.?
The molecular weight of Difluorostatone deriv. is 784.38184 g/mol.
Where can I buy Difluorostatone deriv.?
You can request a quote for Difluorostatone deriv. directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Difluorostatone deriv.?
Yes, CoreyChem provides custom synthesis services for Difluorostatone deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.