Homoaerothionin
TL;DR: Homoaerothionin (CAS 34232-66-1) is a chemical compound with molecular formula C25H28Br4N4O8 and molecular weight 827.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S,6R)-7,9-dibromo-N-[5-[[(5S,6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]pentyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
Also Known As: homoaerothionin, Homoaerothionine, HOMOEROTHIONIN, HOMOAEROTHIONIN (AN), J2.858.088F
| Molecular Formula | C25H28Br4N4O8 |
|---|---|
| Molecular Weight | 827.86 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 831.86 |
| Heavy Atoms | 41 |
| Complexity | 1200.0 |
Chemical Identifiers
| CAS Number | 34232-66-1 |
|---|---|
| SMILES | COC1=C([C@@H]([C@]2(CC(=NO2)C(=O)NCCCCCNC(=O)C3=NO[C@@]4(C3)C=C(C(=C([C@@H]4O)Br)OC)Br)C=C1Br)O)Br |
| InChIKey | UXPNMQCEVMBCIR-KXTAGPOFSA-N |
Product Overview
Homoaerothionin (CAS 34232-66-1), with molecular formula C25H28Br4N4O8 and molecular weight 827.86 g/mol. IUPAC: (5S,6R)-7,9-dibromo-N-[5-[[(5S,6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]pentyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide.
Chemical Property Profile of Homoaerothionin
Property Insights of Homoaerothionin
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Homoaerothionin. The TPSA of 160.0 Ų indicates high polarity, suggesting Homoaerothionin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Homoaerothionin has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Homoaerothionin?
The CAS number of Homoaerothionin is 34232-66-1.
What is the molecular formula of Homoaerothionin?
The molecular formula of Homoaerothionin is C25H28Br4N4O8.
What is the molecular weight of Homoaerothionin?
The molecular weight of Homoaerothionin is 827.86 g/mol.
Where can I buy Homoaerothionin?
You can request a quote for Homoaerothionin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Homoaerothionin?
Yes, KEHONG BIO provides custom synthesis services for Homoaerothionin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.