His-Cys-Lys-Phe-Trp-Trp
TL;DR: His-Cys-Lys-Phe-Trp-Trp (CAS 172549-40-5) is a chemical compound with molecular formula C46H55N11O7S and molecular weight 905.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulfanylpropanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
Also Known As: His-Cys-Lys-Phe-Trp-Trp, H-His-Cys-Lys-Phe-Trp-Trp-OH, HY-P2379, HIV Integrase Protein Inhibitor HCKFWW, J2.560.615I
| Molecular Formula | C46H55N11O7S |
|---|---|
| Molecular Weight | 905.40 g/mol |
| LogP | 1.5376 |
| Topological Polar Surface Area | 295.1 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 24 |
| Exact Mass | 905.40063 |
| Heavy Atoms | 65 |
| Complexity | 2545.6494 |
Chemical Identifiers
| CAS Number | 172549-40-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](CC6=CN=CN6)N |
Product Overview
His-Cys-Lys-Phe-Trp-Trp (CAS 172549-40-5), with molecular formula C46H55N11O7S and molecular weight 905.40 g/mol. IUPAC: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulfanylpropanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid.
Chemical Property Profile of His-Cys-Lys-Phe-Trp-Trp
Property Insights of His-Cys-Lys-Phe-Trp-Trp
The XLogP value of 1.5376 suggests moderate lipophilicity, balancing water solubility and membrane permeability for His-Cys-Lys-Phe-Trp-Trp. The TPSA of 295.1 Ų indicates high polarity, suggesting His-Cys-Lys-Phe-Trp-Trp may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, His-Cys-Lys-Phe-Trp-Trp has 12 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of His-Cys-Lys-Phe-Trp-Trp?
The CAS number of His-Cys-Lys-Phe-Trp-Trp is 172549-40-5.
What is the molecular formula of His-Cys-Lys-Phe-Trp-Trp?
The molecular formula of His-Cys-Lys-Phe-Trp-Trp is C46H55N11O7S.
What is the molecular weight of His-Cys-Lys-Phe-Trp-Trp?
The molecular weight of His-Cys-Lys-Phe-Trp-Trp is 905.40 g/mol.
Where can I buy His-Cys-Lys-Phe-Trp-Trp?
You can request a quote for His-Cys-Lys-Phe-Trp-Trp directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for His-Cys-Lys-Phe-Trp-Trp?
Yes, KEHONG BIO provides custom synthesis services for His-Cys-Lys-Phe-Trp-Trp and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.