Bis(Val-NH)-diF-acetone deriv.
TL;DR: Bis(Val-NH)-diF-acetone deriv. (CAS 133038-85-4) is a chemical compound with molecular formula C44H50F2N4O7 and molecular weight 784.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[(2S)-1-[[(2S,5S)-3,3-difluoro-5-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)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., 1-Tosyl-, A,, A-diphenyl-3-pyrrolidineacetonitrile, benzyl N-[(2S)-1-[[(2S,5S)-3,3-difluoro-5-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-oxo-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
| Molecular Formula | C44H50F2N4O7 |
|---|---|
| Molecular Weight | 784.36 g/mol |
| LogP | 8.5 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 21 |
| Exact Mass | 784.36475 |
| Heavy Atoms | 57 |
| Complexity | 1270.0 |
Chemical Identifiers
| CAS Number | 133038-85-4 |
|---|---|
| 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)NC(=O)OCC3=CC=CC=C3)(F)F)NC(=O)OCC4=CC=CC=C4 |
| InChIKey | YNCPFORRBHVPKK-ZQWQDMLBSA-N |
Product Overview
Bis(Val-NH)-diF-acetone deriv. (CAS 133038-85-4), with molecular formula C44H50F2N4O7 and molecular weight 784.36 g/mol. IUPAC: benzyl N-[(2S)-1-[[(2S,5S)-3,3-difluoro-5-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-oxo-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate.
Chemical Property Profile of Bis(Val-NH)-diF-acetone deriv.
Property Insights of Bis(Val-NH)-diF-acetone deriv.
The XLogP value of 8.5 indicates that Bis(Val-NH)-diF-acetone deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 152.0 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
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 133038-85-4.
What is the molecular formula of Bis(Val-NH)-diF-acetone deriv.?
The molecular formula of Bis(Val-NH)-diF-acetone deriv. is C44H50F2N4O7.
What is the molecular weight of Bis(Val-NH)-diF-acetone deriv.?
The molecular weight of Bis(Val-NH)-diF-acetone deriv. is 784.36 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.