1QN-echinomycin
TL;DR: 1QN-echinomycin (CAS 77195-99-4) is a chemical compound with molecular formula C52H65N11O12S2 and molecular weight 1099.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2,4,12,15,17,25-hexamethyl-27-methylsulfanyl-3,6,10,13,16,19,23,26-octaoxo-11,24-di(propan-2-yl)-20-(quinoline-2-carbonylamino)-9,22-dioxa-28-thia-2,5,12,15,18,25-hexazabicyclo[12.12.3]nonacosan-7-yl]quinoxaline-2-carboxamide
Also Known As: 1QN-Echinomycin, Quinomycin A, 1-(N-(2-quinolinylcarbonyl)-D-serine)-, N-[2,4,12,15,17,25-hexamethyl-27-methylsulfanyl-3,6,10,13,16,19,23,26-octaoxo-11,24-di(propan-2-yl)-20-(quinoline-2-carbonylamino)-9,22-dioxa-28-thia-2,5,12,15,18,25-hexazabicyclo[12.12.3]nonacosan-7-yl]quinoxaline-2-carboxamide, N-[2,4,12,15,17,25-hexamethyl-29-methylsulfanyl-3,6,10,13,16,19,23,26-octaoxo-11,24-di(propan-2-yl)-7-(quinoline-2-carbonylamino)-9,22-dioxa-28-thia-2,5,12,15,18,25-hexazabicyclo[12.12.3]nonacosan-20-yl]quinoxaline-2-carboxamide, N-[3,11,13,16,24,26-hexamethyl-27-methylsulfanyl-2,5,9,12,15,18,22,25-octaoxo-4,17-di(propan-2-yl)-8-(quinoline-2-carbonylamino)-6,19-dioxa-28-thia-3,10,13,16,23,26-hexazabicyclo[12.12.3]nonacosan-21-yl]quinoxaline-2-carboxamide
| Molecular Formula | C52H65N11O12S2 |
|---|---|
| Molecular Weight | 1099.43 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 340.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 7 |
| Exact Mass | 1099.4255 |
| Heavy Atoms | 77 |
| Complexity | 2190.0 |
Chemical Identifiers
| CAS Number | 77195-99-4 |
|---|---|
| SMILES | CC1C(=O)N(C2CSC(C(C(=O)N(C(C(=O)OCC(C(=O)N1)NC(=O)C3=NC4=CC=CC=C4C=C3)C(C)C)C)N(C(=O)C(NC(=O)C(COC(=O)C(N(C2=O)C)C(C)C)NC(=O)C5=NC6=CC=CC=C6N=C5)C)C)SC)C |
| InChIKey | ITWKZNYKGRGXPU-UHFFFAOYSA-N |
Product Overview
1QN-echinomycin (CAS 77195-99-4), with molecular formula C52H65N11O12S2 and molecular weight 1099.43 g/mol. IUPAC: N-[2,4,12,15,17,25-hexamethyl-27-methylsulfanyl-3,6,10,13,16,19,23,26-octaoxo-11,24-di(propan-2-yl)-20-(quinoline-2-carbonylamino)-9,22-dioxa-28-thia-2,5,12,15,18,25-hexazabicyclo[12.12.3]nonacosan-7-yl]quinoxaline-2-carboxamide.
Chemical Property Profile of 1QN-echinomycin
Property Insights of 1QN-echinomycin
The XLogP value of 3.7 indicates that 1QN-echinomycin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 340.0 Ų indicates high polarity, suggesting 1QN-echinomycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1QN-echinomycin has 4 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 1QN-echinomycin?
The CAS number of 1QN-echinomycin is 77195-99-4.
What is the molecular formula of 1QN-echinomycin?
The molecular formula of 1QN-echinomycin is C52H65N11O12S2.
What is the molecular weight of 1QN-echinomycin?
The molecular weight of 1QN-echinomycin is 1099.43 g/mol.
Where can I buy 1QN-echinomycin?
You can request a quote for 1QN-echinomycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1QN-echinomycin?
Yes, KEHONG BIO provides custom synthesis services for 1QN-echinomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.