ES 1005
TL;DR: ES 1005 (CAS 115404-79-0) is a chemical compound with molecular formula C50H69Cl2N7O6 and molecular weight 933.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-N-[(2S)-1-[[(5S)-5-amino-6-hydroxyhexyl]amino]-4-methyl-1-oxopentan-2-yl]-3-hydroxy-4-[[3-(1H-imidazol-5-yl)-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]propanoyl]amino]-6-methylheptanamide;dihydrochloride
Also Known As: ES 1005, Bis((1-naphthyl)methyl)acetyl-histidyl-statyl-leucyl-episilon-lysinol, 1H-Imidazole-4-propanamide, N-(4-((1-(((5-amino-6-hydroxyhexyl)amino)carbonyl)-3-methylbutyl)amino)-2-hydroxy-1-(2-methylpropyl)-4-oxobutyl)-alpha-((3-(1-naphthalenyl)-2-(1-naphthalenylmethyl)-1-oxopropyl)amino)-, dihydrochloride, (1S-(1R*(R*),2R*,4(R*(R*))))-, (3S)-N-[(2S)-1-[[(5S)-5-amino-6-hydroxyhexyl]amino]-4-methyl-1-oxopentan-2-yl]-3-hydroxy-4-[[3-(1H-imidazol-5-yl)-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]propanoyl]amino]-6-methylheptanamide dihydrochloride
| Molecular Formula | C50H69Cl2N7O6 |
|---|---|
| Molecular Weight | 933.47 g/mol |
| LogP | 6.1075 |
| Topological Polar Surface Area | 211.56 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 25 |
| Exact Mass | 933.4686 |
| Heavy Atoms | 65 |
| Complexity | 2148.6384 |
Chemical Identifiers
| CAS Number | 115404-79-0 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)NCCCC[C@@H](CO)N)NC(=O)C[C@@H](C(CC(C)C)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC2=CC=CC3=CC=CC=C32)CC4=CC=CC5=CC=CC=C54)O.Cl.Cl |
Product Overview
ES 1005 (CAS 115404-79-0), with molecular formula C50H69Cl2N7O6 and molecular weight 933.47 g/mol. IUPAC: (3S)-N-[(2S)-1-[[(5S)-5-amino-6-hydroxyhexyl]amino]-4-methyl-1-oxopentan-2-yl]-3-hydroxy-4-[[3-(1H-imidazol-5-yl)-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]propanoyl]amino]-6-methylheptanamide;dihydrochloride.
Chemical Property Profile of ES 1005
Property Insights of ES 1005
The XLogP value of 6.1075 indicates that ES 1005 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 211.56 Ų indicates high polarity, suggesting ES 1005 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ES 1005 has 8 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ES 1005?
The CAS number of ES 1005 is 115404-79-0.
What is the molecular formula of ES 1005?
The molecular formula of ES 1005 is C50H69Cl2N7O6.
What is the molecular weight of ES 1005?
The molecular weight of ES 1005 is 933.47 g/mol.
Where can I buy ES 1005?
You can request a quote for ES 1005 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ES 1005?
Yes, KEHONG BIO provides custom synthesis services for ES 1005 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.