AcAsp-Glu-Dif-Glu-Cha-Cys
TL;DR: AcAsp-Glu-Dif-Glu-Cha-Cys (CAS 208939-95-1) is a chemical compound with molecular formula C43H56N6O14S and molecular weight 912.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S)-1-[[(2S)-4-carboxy-1-[[(2S)-1-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxo-3,3-diphenylpropan-2-yl]amino]-5-oxopentanoic acid
Also Known As: AcAsp-Glu-Dif-Glu-Cha-Cys, Product-based HCV NS3 protease inhibitor, Hepatitis Virus C NS3 Protease Inhibitor 2, Hepatitis-Virus-C-NS3-Protease-Inhibitor-2, J1.474.621H
| Molecular Formula | C43H56N6O14S |
|---|---|
| Molecular Weight | 912.36 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 325.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 26 |
| Exact Mass | 912.35754 |
| Heavy Atoms | 64 |
| Complexity | 1630.0 |
Chemical Identifiers
| CAS Number | 208939-95-1 |
|---|---|
| SMILES | CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC3CCCCC3)C(=O)N[C@@H](CS)C(=O)O |
| InChIKey | UJAUCRPOZPWCGV-XJJOYFJPSA-N |
Product Overview
AcAsp-Glu-Dif-Glu-Cha-Cys (CAS 208939-95-1), with molecular formula C43H56N6O14S and molecular weight 912.36 g/mol. IUPAC: (4S)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S)-1-[[(2S)-4-carboxy-1-[[(2S)-1-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxo-3,3-diphenylpropan-2-yl]amino]-5-oxopentanoic acid.
Chemical Property Profile of AcAsp-Glu-Dif-Glu-Cha-Cys
Property Insights of AcAsp-Glu-Dif-Glu-Cha-Cys
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AcAsp-Glu-Dif-Glu-Cha-Cys. The TPSA of 325.0 Ų indicates high polarity, suggesting AcAsp-Glu-Dif-Glu-Cha-Cys may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AcAsp-Glu-Dif-Glu-Cha-Cys has 11 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AcAsp-Glu-Dif-Glu-Cha-Cys?
The CAS number of AcAsp-Glu-Dif-Glu-Cha-Cys is 208939-95-1.
What is the molecular formula of AcAsp-Glu-Dif-Glu-Cha-Cys?
The molecular formula of AcAsp-Glu-Dif-Glu-Cha-Cys is C43H56N6O14S.
What is the molecular weight of AcAsp-Glu-Dif-Glu-Cha-Cys?
The molecular weight of AcAsp-Glu-Dif-Glu-Cha-Cys is 912.36 g/mol.
Where can I buy AcAsp-Glu-Dif-Glu-Cha-Cys?
You can request a quote for AcAsp-Glu-Dif-Glu-Cha-Cys directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AcAsp-Glu-Dif-Glu-Cha-Cys?
Yes, KEHONG BIO provides custom synthesis services for AcAsp-Glu-Dif-Glu-Cha-Cys and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.