Bis(Val-NH)-diF-acetone deriv.
TL;DR: Bis(Val-NH)-diF-acetone deriv. (CAS 144162-29-8) is a chemical compound with molecular formula C44H54F2N8O5 and molecular weight 812.42 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-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanoyl]amino]-3-oxo-1,6-diphenylhexan-2-yl]-3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanamide
Also Known As: Bis(Val-NH)-diF-acetone deriv., A 79285, 2,5,10,13-Tetraazatetradecanediamide, 7,7-difluoro-N,N'-dimethyl-3,12-bis(1-methylethyl)-4,8,11-trioxo-6,9-bis(phenylmethyl)-N,N'-bis(2-pyridinylmethyl)-, (3S,6S,9S,12S)-, 2,5,10,13-Tetraazatetradecanediamide, 7,7-difluoro-N,N'-dimethyl-3,11-bis(1-methylethyl)-4,8,11-trioxo-6,9-bis(phenylmethyl)-N,N'-bis(2-pyridinylmethyl)-, (3S-(3R,6R,9R,12R))-, (2S)-N-[(2S,5S)-4,4-difluoro-5-[[(2S)-3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanoyl]amino]-3-oxo-1,6-diphenylhexan-2-yl]-3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanamide
| Molecular Formula | C44H54F2N8O5 |
|---|---|
| Molecular Weight | 812.42 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 19 |
| Exact Mass | 812.4185 |
| Heavy Atoms | 59 |
| Complexity | 1360.0 |
Chemical Identifiers
| CAS Number | 144162-29-8 |
|---|---|
| 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)N(C)CC3=CC=CC=N3)(F)F)NC(=O)N(C)CC4=CC=CC=N4 |
| InChIKey | JTDUYNAHHZIVPJ-ZQWQDMLBSA-N |
Product Overview
Bis(Val-NH)-diF-acetone deriv. (CAS 144162-29-8), with molecular formula C44H54F2N8O5 and molecular weight 812.42 g/mol. IUPAC: (2S)-N-[(2S,5S)-4,4-difluoro-5-[[(2S)-3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanoyl]amino]-3-oxo-1,6-diphenylhexan-2-yl]-3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanamide.
Chemical Property Profile of Bis(Val-NH)-diF-acetone deriv.
Property Insights of Bis(Val-NH)-diF-acetone deriv.
The XLogP value of 5.7 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
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 144162-29-8.
What is the molecular formula of Bis(Val-NH)-diF-acetone deriv.?
The molecular formula of Bis(Val-NH)-diF-acetone deriv. is C44H54F2N8O5.
What is the molecular weight of Bis(Val-NH)-diF-acetone deriv.?
The molecular weight of Bis(Val-NH)-diF-acetone deriv. is 812.42 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.