棘霉素
TL;DR: 棘霉素 (CAS 512-64-1) is a chemical compound with molecular formula C51H64N12O12S2 and molecular weight 1100.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
棘霉素
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-(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: Echinomycin, Levomycin, Quinomycin A, Quinomycin C, Echinomycin A
| Molecular Formula | C51H64N12O12S2 |
|---|---|
| Molecular Weight | 1100.42 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 352.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 7 |
| Exact Mass | 1100.4208 |
| Heavy Atoms | 77 |
| Complexity | 2200.0 |
Chemical Identifiers
| CAS Number | 512-64-1 |
|---|---|
| SMILES | CC1C(=O)N(C2CSC(C(C(=O)N(C(C(=O)OCC(C(=O)N1)NC(=O)C3=NC4=CC=CC=C4N=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 | AUJXLBOHYWTPFV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
棘霉素 (CAS 512-64-1), with molecular formula C51H64N12O12S2 and molecular weight 1100.42 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-(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 棘霉素
Property Insights of 棘霉素
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 棘霉素. The TPSA of 352.0 Ų indicates high polarity, suggesting 棘霉素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 棘霉素 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 棘霉素?
The CAS number of 棘霉素 is 512-64-1.
What is the molecular formula of 棘霉素?
The molecular formula of 棘霉素 is C51H64N12O12S2.
What is the molecular weight of 棘霉素?
The molecular weight of 棘霉素 is 1100.42 g/mol.
Where can I buy 棘霉素?
You can request a quote for 棘霉素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 棘霉素?
Yes, KEHONG BIO provides custom synthesis services for 棘霉素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.