Benzenesulfonic acid, 2(or 5)-((1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy)-5(or 2)-(1-methyl-1-phenylethyl)-
TL;DR: Benzenesulfonic acid, 2(or 5)-((1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy)-5(or 2)-(1-methyl-1-phenylethyl)- (CAS 71606-01-4) is a chemical compound with molecular formula C29H25NO7S and molecular weight 531.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(8aS,10aS)-1-amino-4-hydroxy-9,10-dioxo-8a,10a-dihydroanthracen-2-yl]oxy]-5-(2-phenylpropan-2-yl)benzenesulfonic acid
Also Known As: Benzenesulfonic acid, 2(or 5)-((1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy)-5(or 2)-(1-methyl-1-phenylethyl)-, Benzenesulfonic acid, 2(or 5)-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]-5(or 2)-(1-methyl-1-phenylethyl)-, 2-[[(8aS,10aS)-1-amino-4-hydroxy-9,10-dioxo-8a,10a-dihydroanthracen-2-yl]oxy]-5-(2-phenylpropan-2-yl)benzenesulfonic acid, RefChem:563922
| Molecular Formula | C29H25NO7S |
|---|---|
| Molecular Weight | 531.14 g/mol |
| LogP | 5.0767 |
| Topological Polar Surface Area | 143.99 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 531.1352 |
| Heavy Atoms | 38 |
| Complexity | 1653.8538 |
Chemical Identifiers
| CAS Number | 71606-01-4 |
|---|---|
| SMILES | CC(C)(C1=CC=CC=C1)C2=CC(=C(C=C2)OC3=C(C4=C(C(=C3)O)C(=O)[C@H]5C=CC=C[C@@H]5C4=O)N)S(=O)(=O)O |
Product Overview
Benzenesulfonic acid, 2(or 5)-((1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy)-5(or 2)-(1-methyl-1-phenylethyl)- (CAS 71606-01-4), with molecular formula C29H25NO7S and molecular weight 531.14 g/mol. IUPAC: 2-[[(8aS,10aS)-1-amino-4-hydroxy-9,10-dioxo-8a,10a-dihydroanthracen-2-yl]oxy]-5-(2-phenylpropan-2-yl)benzenesulfonic acid.
Chemical Property Profile of Benzenesulfonic acid, 2(or 5)-((1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy)-5(or 2)-(1-methyl-1-phenylethyl)-
Property Insights of Benzenesulfonic acid, 2(or 5)-((1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy)-5(or 2)-(1-methyl-1-phenylethyl)-
The XLogP value of 5.0767 indicates that Benzenesulfonic acid, 2(or 5)-((1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy)-5(or 2)-(1-methyl-1-phenylethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 143.99 Ų indicates high polarity, suggesting Benzenesulfonic acid, 2(or 5)-((1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy)-5(or 2)-(1-methyl-1-phenylethyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzenesulfonic acid, 2(or 5)-((1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy)-5(or 2)-(1-methyl-1-phenylethyl)- has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzenesulfonic acid, 2(or 5)-((1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy)-5(or 2)-(1-methyl-1-phenylethyl)-?
The CAS number of Benzenesulfonic acid, 2(or 5)-((1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy)-5(or 2)-(1-methyl-1-phenylethyl)- is 71606-01-4.
What is the molecular formula of Benzenesulfonic acid, 2(or 5)-((1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy)-5(or 2)-(1-methyl-1-phenylethyl)-?
The molecular formula of Benzenesulfonic acid, 2(or 5)-((1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy)-5(or 2)-(1-methyl-1-phenylethyl)- is C29H25NO7S.
What is the molecular weight of Benzenesulfonic acid, 2(or 5)-((1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy)-5(or 2)-(1-methyl-1-phenylethyl)-?
The molecular weight of Benzenesulfonic acid, 2(or 5)-((1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy)-5(or 2)-(1-methyl-1-phenylethyl)- is 531.14 g/mol.
Where can I buy Benzenesulfonic acid, 2(or 5)-((1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy)-5(or 2)-(1-methyl-1-phenylethyl)-?
You can request a quote for Benzenesulfonic acid, 2(or 5)-((1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy)-5(or 2)-(1-methyl-1-phenylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, 2(or 5)-((1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy)-5(or 2)-(1-methyl-1-phenylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 2(or 5)-((1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy)-5(or 2)-(1-methyl-1-phenylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.