Quinomycin B
TL;DR: Quinomycin B (CAS 13602-52-3) is a chemical compound with molecular formula C53H68N12O12S2 and molecular weight 1128.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[11,24-di(butan-2-yl)-2,4,12,15,17,25-hexamethyl-27-methylsulfanyl-3,6,10,13,16,19,23,26-octaoxo-20-(quinoxaline-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: Quinomycin B, Quinomycin, HY-N14571, Quinomycin A, 4-(N-methylalloisoleucine)-8-(N-methylalloisoleucine)-, N-[11,24-di(butan-2-yl)-2,4,12,15,17,25-hexamethyl-27-methylsulfanyl-3,6,10,13,16,19,23,26-octaoxo-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28-thia-2,5,12,15,18,25-hexazabicyclo[12.12.3]nonacosan-7-yl]quinoxaline-2-carboxamide
| Molecular Formula | C53H68N12O12S2 |
|---|---|
| Molecular Weight | 1128.45 g/mol |
| LogP | 1.4155 |
| Topological Polar Surface Area | 301.8 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 9 |
| Exact Mass | 1128.4521 |
| Heavy Atoms | 79 |
| Complexity | 2972.2231 |
Chemical Identifiers
| CAS Number | 13602-52-3 |
|---|---|
| SMILES | CCC(C)C1C(=O)OCC(C(=O)NC(C(=O)N(C2C(SCC(C(=O)N1C)N(C(=O)C(NC(=O)C(COC(=O)C(N(C2=O)C)C(C)CC)NC(=O)C3=NC4=CC=CC=C4N=C3)C)C)SC)C)C)NC(=O)C5=NC6=CC=CC=C6N=C5 |
Product Overview
Quinomycin B (CAS 13602-52-3), with molecular formula C53H68N12O12S2 and molecular weight 1128.45 g/mol. IUPAC: N-[11,24-di(butan-2-yl)-2,4,12,15,17,25-hexamethyl-27-methylsulfanyl-3,6,10,13,16,19,23,26-octaoxo-20-(quinoxaline-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 Quinomycin B
Property Insights of Quinomycin B
The XLogP value of 1.4155 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quinomycin B. The TPSA of 301.8 Ų indicates high polarity, suggesting Quinomycin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Quinomycin B has 4 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Quinomycin B?
The CAS number of Quinomycin B is 13602-52-3.
What is the molecular formula of Quinomycin B?
The molecular formula of Quinomycin B is C53H68N12O12S2.
What is the molecular weight of Quinomycin B?
The molecular weight of Quinomycin B is 1128.45 g/mol.
Where can I buy Quinomycin B?
You can request a quote for Quinomycin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinomycin B?
Yes, KEHONG BIO provides custom synthesis services for Quinomycin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.