Bis(Val-NH)-diF-acetone deriv.
TL;DR: Bis(Val-NH)-diF-acetone deriv. (CAS 144163-15-5) is a chemical compound with molecular formula C44H52F2N6O7 and molecular weight 814.38654 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6-methyl-2-pyridinyl)methyl N-[(2S)-1-[[(2S,5S)-3,3-difluoro-5-[[(2S)-3-methyl-2-[(6-methyl-2-pyridinyl)methoxycarbonylamino]butanoyl]amino]-4-oxo-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
Also Known As: Bis(Val-NH)-diF-acetone deriv., 2,5,10,13-Tetraazatetradecanedioic acid, 7,7-difluoro-3,12-bis(1-methylethyl)-4,8,11-trioxo-6,9-bis(phenylmethyl)-, bis((6-methyl-2-pyridinyl)methyl) ester, (3S-(3R*,6R*,9R*,12R*))-, (6-methyl-2-pyridyl)methyl N-[(1S)-1-[[(1S,4S)-1-benzyl-2,2-difluoro-4-[[(2S)-3-methyl-2-[(6-methyl-2-pyridyl)methoxycarbonylamino]butanoyl]amino]-3-oxo-5-phenyl-pentyl]carbamoyl]-2-methyl-propyl]carbamate, (6-methylpyridin-2-yl)methyl N-[(2S)-1-[[(2S,5S)-3,3-difluoro-5-[[(2S)-3-methyl-2-[(6-methylpyridin-2-yl)methoxycarbonylamino]butanoyl]amino]-4-oxo-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate, 2,5,10,13-Tetraazatetradecanedioic acid, 7,7-difluoro-3,12-bis(1-methylethyl)-4,8,11-trioxo-6,9-bis(phenylmethyl)-, bis[(6-methyl-2-pyridinyl)methyl] ester, [3S-(3R*,6R*,9R*,12R*)]-
Technical Specifications
| Molecular Formula | C44H52F2N6O7 |
| Molecular Weight | 814.38654 g/mol |
| XLogP | 7.2 |
| Topological Polar Surface Area (TPSA) | 178.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 21 |
| Exact Mass | 814.38654 Da |
| Heavy Atoms | 59 |
| Complexity | 1360.0 |
| SMILES | CC1=NC(=CC=C1)COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)C([C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)NC(=O)OCC4=CC=CC(=N4)C)(F)F |
| InChIKey | VXCLVVRZHNCBSS-ZQWQDMLBSA-N |
Chemical Property Profile of Bis(Val-NH)-diF-acetone deriv.
Property Insights of Bis(Val-NH)-diF-acetone deriv.
The XLogP value of 7.2 indicates that Bis(Val-NH)-diF-acetone deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 178.0 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 11 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 144163-15-5.
What is the molecular formula of Bis(Val-NH)-diF-acetone deriv.?
The molecular formula of Bis(Val-NH)-diF-acetone deriv. is C44H52F2N6O7.
What is the molecular weight of Bis(Val-NH)-diF-acetone deriv.?
The molecular weight of Bis(Val-NH)-diF-acetone deriv. is 814.38654 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.