L-Lysinamide, bis(trifluoroacetate)
TL;DR: L-Lysinamide, bis(trifluoroacetate) (CAS 84559-75-1) is a chemical compound with molecular formula C29H47Cl2F3N6O5 and molecular weight 686.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-2-[[2-[(2-amino-3-methylbutanoyl)amino]-4-methylpentanoyl]amino]-N-[4-[bis(2-chloroethyl)amino]phenyl]hexanamide;2,2,2-trifluoroacetic acid
Also Known As: L-Lysinamide, bis(trifluoroacetate), Trifluoroacetic acid--valylleucyl-N-{4-[bis(2-chloroethyl)amino]phenyl}lysinamide (1/1), 6-amino-2-[[2-[(2-amino-3-methylbutanoyl)amino]-4-methylpentanoyl]amino]-N-[4-[bis(2-chloroethyl)amino]phenyl]hexanamide; 2,2,2-trifluoroacetic acid
| Molecular Formula | C29H47Cl2F3N6O5 |
|---|---|
| Molecular Weight | 686.29 g/mol |
| LogP | 3.6704 |
| Topological Polar Surface Area | 180.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 18 |
| Exact Mass | 686.2937 |
| Heavy Atoms | 45 |
| Complexity | 782.0 |
Chemical Identifiers
| CAS Number | 84559-75-1 |
|---|---|
| SMILES | CC(C)CC(C(=O)NC(CCCCN)C(=O)NC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)C(C(C)C)N.C(=O)(C(F)(F)F)O |
| InChIKey | HEDDKWVATGQJEB-UHFFFAOYSA-N |
Product Overview
L-Lysinamide, bis(trifluoroacetate) (CAS 84559-75-1), with molecular formula C29H47Cl2F3N6O5 and molecular weight 686.29 g/mol. IUPAC: 6-amino-2-[[2-[(2-amino-3-methylbutanoyl)amino]-4-methylpentanoyl]amino]-N-[4-[bis(2-chloroethyl)amino]phenyl]hexanamide;2,2,2-trifluoroacetic acid.
Chemical Property Profile of L-Lysinamide, bis(trifluoroacetate)
Property Insights of L-Lysinamide, bis(trifluoroacetate)
The XLogP value of 3.6704 indicates that L-Lysinamide, bis(trifluoroacetate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 180.0 Ų indicates high polarity, suggesting L-Lysinamide, bis(trifluoroacetate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, L-Lysinamide, bis(trifluoroacetate) has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of L-Lysinamide, bis(trifluoroacetate)?
The CAS number of L-Lysinamide, bis(trifluoroacetate) is 84559-75-1.
What is the molecular formula of L-Lysinamide, bis(trifluoroacetate)?
The molecular formula of L-Lysinamide, bis(trifluoroacetate) is C29H47Cl2F3N6O5.
What is the molecular weight of L-Lysinamide, bis(trifluoroacetate)?
The molecular weight of L-Lysinamide, bis(trifluoroacetate) is 686.29 g/mol.
Where can I buy L-Lysinamide, bis(trifluoroacetate)?
You can request a quote for L-Lysinamide, bis(trifluoroacetate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L-Lysinamide, bis(trifluoroacetate)?
Yes, KEHONG BIO provides custom synthesis services for L-Lysinamide, bis(trifluoroacetate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.