RefChem:563696
TL;DR: RefChem:563696 (CAS 72845-49-9) is a chemical compound with molecular formula C40H42Cl2N4O6S2 and molecular weight 808.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(cyclohexylmethyl)-2-[[6,7-dichloro-4-[2-(cyclohexylmethylsulfamoyl)anilino]-9,10-dioxoanthracen-1-yl]amino]benzenesulfonamide
Also Known As: Benzenesulfonamide, ar,ar'-((6,7-dichloro-9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)diimino)bis(N-cyclohexyl-ar-methyl-, Benzenesulfonamide, 2,2' (or 5,5')-(6,7-dichloro-9,10-dihydro-9,10-dioxoanthracene-1,4-diyl)bis(imino))bis(N-cyclohexyl-5-(or 2)-methyl-, Benzenesulfonamide, 2,2'(or 5,5')-((6,7-dichloro-9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)diimino)bis(N-cyclohexyl-5(or 2)-methyl-, Benzenesulfonamide, ar,ar'-[(6,7-dichloro-9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)diimino]bis[N-cyclohexyl-ar-methyl-, N-(cyclohexylmethyl)-2-[[6,7-dichloro-4-[2-(cyclohexylmethylsulfamoyl)anilino]-9,10-dioxoanthracen-1-yl]amino]benzenesulfonamide
| Molecular Formula | C40H42Cl2N4O6S2 |
|---|---|
| Molecular Weight | 808.19 g/mol |
| LogP | 11.0 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 808.19226 |
| Heavy Atoms | 54 |
| Complexity | 1400.0 |
Chemical Identifiers
| CAS Number | 72845-49-9 |
|---|---|
| SMILES | C1CCC(CC1)CNS(=O)(=O)C2=CC=CC=C2NC3=C4C(=C(C=C3)NC5=CC=CC=C5S(=O)(=O)NCC6CCCCC6)C(=O)C7=CC(=C(C=C7C4=O)Cl)Cl |
| InChIKey | KRXCLIRTISUUKT-UHFFFAOYSA-N |
Product Overview
RefChem:563696 (CAS 72845-49-9), with molecular formula C40H42Cl2N4O6S2 and molecular weight 808.19 g/mol. IUPAC: N-(cyclohexylmethyl)-2-[[6,7-dichloro-4-[2-(cyclohexylmethylsulfamoyl)anilino]-9,10-dioxoanthracen-1-yl]amino]benzenesulfonamide.
Chemical Property Profile of RefChem:563696
Property Insights of RefChem:563696
The XLogP value of 11.0 indicates that RefChem:563696 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 167.0 Ų indicates high polarity, suggesting RefChem:563696 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:563696 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 RefChem:563696?
The CAS number of RefChem:563696 is 72845-49-9.
What is the molecular formula of RefChem:563696?
The molecular formula of RefChem:563696 is C40H42Cl2N4O6S2.
What is the molecular weight of RefChem:563696?
The molecular weight of RefChem:563696 is 808.19 g/mol.
Where can I buy RefChem:563696?
You can request a quote for RefChem:563696 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:563696?
Yes, KEHONG BIO provides custom synthesis services for RefChem:563696 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.