Emd 55068
TL;DR: Emd 55068 (CAS 126784-34-7) is a chemical compound with molecular formula C41H65N9O6 and molecular weight 779.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S)-N-[(3-amino-5,6-dimethylpyrazin-2-yl)methyl]-2-[[(3S,4S)-4-[[2-[[(2S)-2-(6-aminohexanoylamino)-3-phenylpropanoyl]amino]acetyl]amino]-5-cyclohexyl-3-hydroxypentanoyl]amino]-3-methylpentanamide
Also Known As: Emd 55068, (2S,3S)-N-[(3-amino-5,6-dimethylpyrazin-2-yl)methyl]-2-[[(3S,4S)-4-[[2-[[(2S)-2-(6-aminohexanoylamino)-3-phenylpropanoyl]amino]acetyl]amino]-5-cyclohexyl-3-hydroxypentanoyl]amino]-3-methylpentanamide, 6-amino-N-((4S,8S,9S,15S)-1-(3-amino-5,6-dimethylpyrazin-2-yl)-4-((S)-sec-butyl)-9-(cyclohexylmethyl)-8-hydroxy-3,6,11,14-tetraoxo-16-phenyl-2,5,10,13-tetraazahexadecan-15-yl)hexanamide, L-threo-Pentonamide, N-(1-((((3-amino-5,6-dimethylpyrazinyl)methyl)amino)carbonyl)-2-methylbutyl)-4-((N-(N-(6-amino-1-oxohexyl)-L-phenylalanyl)glycyl)amino)-, (S-(R*,R*))-, L-Isoleucinamide,N-(6-amino-1-oxohexyl)-L-phenylalanylglycyl-4-amino-5-cyclohexyl-2,4,5-trideoxy-L-threo-pentonoyl-N-[(3-amino-5,6-dimethylpyrazinyl)methyl]-(9CI)
| Molecular Formula | C41H65N9O6 |
|---|---|
| Molecular Weight | 779.51 g/mol |
| LogP | 2.39174 |
| Topological Polar Surface Area | 243.55 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 23 |
| Exact Mass | 779.5058 |
| Heavy Atoms | 56 |
| Complexity | 1570.0225 |
Chemical Identifiers
| CAS Number | 126784-34-7 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)NCC1=NC(=C(N=C1N)C)C)NC(=O)C[C@@H]([C@H](CC2CCCCC2)NC(=O)CNC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CCCCCN)O |
Product Overview
Emd 55068 (CAS 126784-34-7), with molecular formula C41H65N9O6 and molecular weight 779.51 g/mol. IUPAC: (2S,3S)-N-[(3-amino-5,6-dimethylpyrazin-2-yl)methyl]-2-[[(3S,4S)-4-[[2-[[(2S)-2-(6-aminohexanoylamino)-3-phenylpropanoyl]amino]acetyl]amino]-5-cyclohexyl-3-hydroxypentanoyl]amino]-3-methylpentanamide.
Chemical Property Profile of Emd 55068
Property Insights of Emd 55068
The XLogP value of 2.39174 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Emd 55068. The TPSA of 243.55 Ų indicates high polarity, suggesting Emd 55068 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Emd 55068 has 8 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 Emd 55068?
The CAS number of Emd 55068 is 126784-34-7.
What is the molecular formula of Emd 55068?
The molecular formula of Emd 55068 is C41H65N9O6.
What is the molecular weight of Emd 55068?
The molecular weight of Emd 55068 is 779.51 g/mol.
Where can I buy Emd 55068?
You can request a quote for Emd 55068 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Emd 55068?
Yes, KEHONG BIO provides custom synthesis services for Emd 55068 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.