Bis(Val-NH)-diF-acetone deriv.
TL;DR: Bis(Val-NH)-diF-acetone deriv. (CAS 144162-61-8) is a chemical compound with molecular formula C38H58F2N8O5 and molecular weight 744.4498 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-N-[(4S,7S)-6,6-difluoro-2,9-dimethyl-7-[[(2S)-3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanoyl]amino]-5-oxodecan-4-yl]-3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanamide
Also Known As: Bis(Val-NH)-diF-acetone deriv., 2,5,10,13-Tetraazatetradecanediamide, 7,7-difluoro-N,N'-dimethyl-3,12-bis(1-methylethyl)-6,9-bis(2-methylpropyl)-4,8,11-trioxo-N,N'-bis(2-pyridinylmethyl)-, (3S-(3R*,6R*,9R*,12R*))-, (2S)-N-[(1S,4S)-3,3-difluoro-1-isobutyl-6-methyl-4-[[(2S)-3-methyl-2-[[methyl(2-pyridylmethyl)carbamoyl]amino]butanoyl]amino]-2-oxo-heptyl]-3-methyl-2-[[methyl(2-pyridylmethyl)carbamoyl]amino]butanamide, (2S)-N-[(4S,7S)-6,6-difluoro-2,9-dimethyl-7-[[(2S)-3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanoyl]amino]-5-oxodecan-4-yl]-3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanamide, (2S,2'S)-N,N'-[(4S,7S)-5,5-Difluoro-2,9-dimethyl-6-oxodecane-4,7-diyl]bis[3-methyl-2-({methyl[(pyridin-2-yl)methyl]carbamoyl}amino)butanamide]
Technical Specifications
| Molecular Formula | C38H58F2N8O5 |
| Molecular Weight | 744.4498 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 166.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 19 |
| Exact Mass | 744.4498 Da |
| Heavy Atoms | 53 |
| Complexity | 1200.0 |
| SMILES | CC(C)C[C@@H](C(=O)C([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)N(C)CC1=CC=CC=N1)(F)F)NC(=O)[C@H](C(C)C)NC(=O)N(C)CC2=CC=CC=N2 |
| InChIKey | MVMIHVMURAJADX-YDPTYEFTSA-N |
Chemical Property Profile of Bis(Val-NH)-diF-acetone deriv.
Property Insights of Bis(Val-NH)-diF-acetone deriv.
The XLogP value of 5.1 indicates that Bis(Val-NH)-diF-acetone deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 166.0 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 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
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 144162-61-8.
What is the molecular formula of Bis(Val-NH)-diF-acetone deriv.?
The molecular formula of Bis(Val-NH)-diF-acetone deriv. is C38H58F2N8O5.
What is the molecular weight of Bis(Val-NH)-diF-acetone deriv.?
The molecular weight of Bis(Val-NH)-diF-acetone deriv. is 744.4498 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 CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bis(Val-NH)-diF-acetone deriv.?
Yes, CoreyChem 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.