Bis(Val-NH)-diF-acetone deriv.
TL;DR: Bis(Val-NH)-diF-acetone deriv. (CAS 144185-90-0) is a chemical compound with molecular formula C42H52F2N6O7S2 and molecular weight 854.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-[(2S,5S)-4,4-difluoro-5-[[(2S)-3-methyl-2-(2-pyridin-2-ylethylsulfonylamino)butanoyl]amino]-3-oxo-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-pyridin-2-ylethylsulfonylamino)butanamide
Also Known As: Bis(Val-NH)-diF-acetone deriv., (2S)-N-[(2S,5S)-4,4-difluoro-5-[[(2S)-3-methyl-2-(2-pyridin-2-ylethylsulfonylamino)butanoyl]amino]-3-oxo-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-pyridin-2-ylethylsulfonylamino)butanamide, Butanamide, N,N'-(2,2-difluoro-3-oxo-1,4-bis(phenylmethyl)-1,4-butanediyl)bis(3-methyl-2-(((2-(2-pyridinyl)ethyl)sulfonyl)amino)-, (1S-(1R*(R*),4R*(R*)))-, (2S)-N-[(1S,4S)-1-benzyl-3,3-difluoro-4-[[(2S)-3-methyl-2-[2-(2-pyridyl)ethylsulfonylamino]butanoyl]amino]-2-oxo-5-phenyl-pentyl]-3-methyl-2-[2-(2-pyridyl)ethylsulfonylamino]butanamide, (2S,2'S)-N,N'-[(2S,5S)-3,3-Difluoro-4-oxo-1,6-diphenylhexane-2,5-diyl]bis{3-methyl-2-[2-(pyridin-2-yl)ethanesulfonamido]butanamide}
| Molecular Formula | C42H52F2N6O7S2 |
|---|---|
| Molecular Weight | 854.33 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 210.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 23 |
| Exact Mass | 854.3307 |
| Heavy Atoms | 59 |
| Complexity | 1540.0 |
Chemical Identifiers
| CAS Number | 144185-90-0 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)C([C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)C)NS(=O)(=O)CCC3=CC=CC=N3)(F)F)NS(=O)(=O)CCC4=CC=CC=N4 |
| InChIKey | WONBDGVQWDNJCU-ZQWQDMLBSA-N |
Product Overview
Bis(Val-NH)-diF-acetone deriv. (CAS 144185-90-0), with molecular formula C42H52F2N6O7S2 and molecular weight 854.33 g/mol. IUPAC: (2S)-N-[(2S,5S)-4,4-difluoro-5-[[(2S)-3-methyl-2-(2-pyridin-2-ylethylsulfonylamino)butanoyl]amino]-3-oxo-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-pyridin-2-ylethylsulfonylamino)butanamide.
Chemical Property Profile of Bis(Val-NH)-diF-acetone deriv.
Property Insights of Bis(Val-NH)-diF-acetone deriv.
The XLogP value of 6.1 indicates that Bis(Val-NH)-diF-acetone deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 210.0 Ų indicates high polarity, suggesting Bis(Val-NH)-diF-acetone deriv. may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bis(Val-NH)-diF-acetone deriv. has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis(Val-NH)-diF-acetone deriv.?
The CAS number of Bis(Val-NH)-diF-acetone deriv. is 144185-90-0.
What is the molecular formula of Bis(Val-NH)-diF-acetone deriv.?
The molecular formula of Bis(Val-NH)-diF-acetone deriv. is C42H52F2N6O7S2.
What is the molecular weight of Bis(Val-NH)-diF-acetone deriv.?
The molecular weight of Bis(Val-NH)-diF-acetone deriv. is 854.33 g/mol.
Where can I buy Bis(Val-NH)-diF-acetone deriv.?
You can request a quote for Bis(Val-NH)-diF-acetone deriv. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(Val-NH)-diF-acetone deriv.?
Yes, KEHONG BIO provides custom synthesis services for Bis(Val-NH)-diF-acetone deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.