Bootlabcap
TL;DR: Bootlabcap (CAS 157973-91-6) is a chemical compound with molecular formula C43H54N8O7 and molecular weight 794.41156 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl N-[(2S)-1-[[(2S)-2-[[(3R)-1-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-oxopyrrolidin-3-yl]amino]-6-[(2-methylphenyl)carbamoylamino]hexanoyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
Also Known As: Bootlabcap, 2,4-dimethylpyridine- dichlorocopper(2:1), tert-butyl N-[(2S)-1-[[(2S)-2-[[(3R)-1-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-oxopyrrolidin-3-yl]amino]-6-[(2-methylphenyl)carbamoylamino]hexanoyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate, 4-Boc-trp-lys(tac)amino-1-(benzylcarbamoylmethyl)pyrrolidin-2-one, 4-((1,1-Dimethylethoxy)carbonyl)-tryptophyl-lysyl(2-tolylaminocarbonyl)amino-1-(benzylcarbamoylmethyl)pyrrolidin-2-one
Technical Specifications
| Molecular Formula | C43H54N8O7 |
| Molecular Weight | 794.41156 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 217.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 19 |
| Exact Mass | 794.41156 Da |
| Heavy Atoms | 58 |
| Complexity | 1420.0 |
| SMILES | CC1=CC=CC=C1NC(=O)NCCCC[C@@H](C(=O)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)OC(C)(C)C)N[C@@H]4CC(=O)N(C4)[C@@H](CC5=CC=CC=C5)C(=O)N |
| InChIKey | HRNMANYNLBIEDG-WJERKRFCSA-N |
Chemical Property Profile of Bootlabcap
Property Insights of Bootlabcap
The XLogP value of 4.2 indicates that Bootlabcap is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 217.0 Ų indicates high polarity, suggesting Bootlabcap may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bootlabcap has 7 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Bootlabcap?
The CAS number of Bootlabcap is 157973-91-6.
What is the molecular formula of Bootlabcap?
The molecular formula of Bootlabcap is C43H54N8O7.
What is the molecular weight of Bootlabcap?
The molecular weight of Bootlabcap is 794.41156 g/mol.
Where can I buy Bootlabcap?
You can request a quote for Bootlabcap directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bootlabcap?
Yes, CoreyChem provides custom synthesis services for Bootlabcap and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.