Eremomycin aglycone hexapeptide
TL;DR: Eremomycin aglycone hexapeptide (CAS 185461-61-4) is a chemical compound with molecular formula C46H40ClN7O16 and molecular weight 981.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,18R,19R,22S,25R,28R,40S)-19-amino-22-(2-amino-2-oxoethyl)-15-chloro-2,18,32,35,37,48-hexahydroxy-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3(50),4,6(49),8(48),9,11,14,16,29(45),30,32,34(39),35,37,46-pentadecaene-40-carboxylic acid
Also Known As: Eremomycin aglycone hexapeptide, EAH 964, Des-(D-MeLeu)eremomycin aglycon, Des-(N-methyl-D-leucyl)eremomycin aglycon, amino-(2-amino-2-oxo-ethyl)-chloro-hexahydroxy-pentaoxo-[?]carboxylic acid
| Molecular Formula | C46H40ClN7O16 |
|---|---|
| Molecular Weight | 981.22 g/mol |
| LogP | -2.8 |
| Topological Polar Surface Area | 392.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 3 |
| Exact Mass | 981.222 |
| Heavy Atoms | 70 |
| Complexity | 1980.0 |
Chemical Identifiers
| CAS Number | 185461-61-4 |
|---|---|
| SMILES | C1=CC2=CC=C1[C@H]([C@H]3C(=O)N[C@@H](C4=C(C(=CC(=C4)O)O)C5=C(C=CC(=C5)[C@H](C(=O)N3)NC(=O)[C@H]6C7=CC(=C(C(=C7)OC8=C(C=C(C=C8)[C@H]([C@H](C(=O)N[C@H](C(=O)N6)CC(=O)N)N)O)Cl)O)O2)O)C(=O)O)O |
| InChIKey | ZUXYELXLKGTWOK-WZRYFPGASA-N |
Product Overview
Eremomycin aglycone hexapeptide (CAS 185461-61-4), with molecular formula C46H40ClN7O16 and molecular weight 981.22 g/mol. IUPAC: (1S,2R,18R,19R,22S,25R,28R,40S)-19-amino-22-(2-amino-2-oxoethyl)-15-chloro-2,18,32,35,37,48-hexahydroxy-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3(50),4,6(49),8(48),9,11,14,16,29(45),30,32,34(39),35,37,46-pentadecaene-40-carboxylic acid.
Chemical Property Profile of Eremomycin aglycone hexapeptide
Property Insights of Eremomycin aglycone hexapeptide
The XLogP value of -2.8 indicates that Eremomycin aglycone hexapeptide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 392.0 Ų indicates high polarity, suggesting Eremomycin aglycone hexapeptide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Eremomycin aglycone hexapeptide has 14 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Eremomycin aglycone hexapeptide?
The CAS number of Eremomycin aglycone hexapeptide is 185461-61-4.
What is the molecular formula of Eremomycin aglycone hexapeptide?
The molecular formula of Eremomycin aglycone hexapeptide is C46H40ClN7O16.
What is the molecular weight of Eremomycin aglycone hexapeptide?
The molecular weight of Eremomycin aglycone hexapeptide is 981.22 g/mol.
Where can I buy Eremomycin aglycone hexapeptide?
You can request a quote for Eremomycin aglycone hexapeptide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Eremomycin aglycone hexapeptide?
Yes, KEHONG BIO provides custom synthesis services for Eremomycin aglycone hexapeptide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.