11-Oxoaerothionin
TL;DR: 11-Oxoaerothionin (CAS 73622-23-8) is a chemical compound with molecular formula C24H24Br4N4O9 and molecular weight 827.83 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R)-7,9-dibromo-N-[4-[[(6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]-3-oxobutyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
Also Known As: 11-Oxoaerothionin, 14-Morpholinodaunorubicin, KST-1A8137, (10r,10'r)-n,n'-(2-oxobutane-1,4-diyl)bis(7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide), (6R)-7,9-dibromo-N-[4-[[(6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]-3-oxobutyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
| Molecular Formula | C24H24Br4N4O9 |
|---|---|
| Molecular Weight | 827.83 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 831.8236 |
| Heavy Atoms | 41 |
| Complexity | 1360.0 |
Chemical Identifiers
| CAS Number | 73622-23-8 |
|---|---|
| SMILES | COC1=C([C@@H](C2(CC(=NO2)C(=O)NCCC(=O)CNC(=O)C3=NOC4(C3)C=C(C(=C([C@@H]4O)Br)OC)Br)C=C1Br)O)Br |
| InChIKey | LPBNXOLVSVGFDX-CSKPTYFESA-N |
Product Overview
11-Oxoaerothionin (CAS 73622-23-8), with molecular formula C24H24Br4N4O9 and molecular weight 827.83 g/mol. IUPAC: (6R)-7,9-dibromo-N-[4-[[(6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]-3-oxobutyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide.
Chemical Property Profile of 11-Oxoaerothionin
Property Insights of 11-Oxoaerothionin
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11-Oxoaerothionin. The TPSA of 177.0 Ų indicates high polarity, suggesting 11-Oxoaerothionin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 11-Oxoaerothionin has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 11-Oxoaerothionin?
The CAS number of 11-Oxoaerothionin is 73622-23-8.
What is the molecular formula of 11-Oxoaerothionin?
The molecular formula of 11-Oxoaerothionin is C24H24Br4N4O9.
What is the molecular weight of 11-Oxoaerothionin?
The molecular weight of 11-Oxoaerothionin is 827.83 g/mol.
Where can I buy 11-Oxoaerothionin?
You can request a quote for 11-Oxoaerothionin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-Oxoaerothionin?
Yes, KEHONG BIO provides custom synthesis services for 11-Oxoaerothionin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.