1-Heptanesulfonanilide, 3'-methoxy-4'-(3-nitro-9-acridinylamino)-, hydrochloride
TL;DR: 1-Heptanesulfonanilide, 3'-methoxy-4'-(3-nitro-9-acridinylamino)-, hydrochloride (CAS 71803-04-8) is a chemical compound with molecular formula C27H31ClN4O5S and molecular weight 558.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(heptylsulfonylamino)-2-methoxyphenyl]-(3-nitroacridin-9-yl)azanium chloride
Also Known As: 3'-Methoxy-4'-(3-nitro-9-acridinylamino)-1-heptanesulfonanilide hydrochloride, 1-HEPTANESULFONANILIDE, 3'-METHOXY-4'-(3-NITRO-9-ACRIDINYLAMINO)-, HYDROCHLORIDE, [4-(Heptylsulfonylamino)-2-methoxyphenyl]-(3-nitroacridin-9-yl)azaniumchloride, [4-(heptylsulfonylamino)-2-methoxyphenyl]-(3-nitroacridin-9-yl)azanium chloride, RefChem:230633
| Molecular Formula | C27H31ClN4O5S |
|---|---|
| Molecular Weight | 558.17 g/mol |
| LogP | 2.55 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 558.17035 |
| Heavy Atoms | 38 |
| Complexity | 832.0 |
Chemical Identifiers
| CAS Number | 71803-04-8 |
|---|---|
| SMILES | CCCCCCCS(=O)(=O)NC1=CC(=C(C=C1)[NH2+]C2=C3C=CC(=CC3=NC4=CC=CC=C42)[N+](=O)[O-])OC.[Cl-] |
| InChIKey | QJHIVKRBLCEQBX-UHFFFAOYSA-N |
Product Overview
1-Heptanesulfonanilide, 3'-methoxy-4'-(3-nitro-9-acridinylamino)-, hydrochloride (CAS 71803-04-8), with molecular formula C27H31ClN4O5S and molecular weight 558.17 g/mol. IUPAC: [4-(heptylsulfonylamino)-2-methoxyphenyl]-(3-nitroacridin-9-yl)azanium chloride.
Chemical Property Profile of 1-Heptanesulfonanilide, 3'-methoxy-4'-(3-nitro-9-acridinylamino)-, hydrochloride
Property Insights of 1-Heptanesulfonanilide, 3'-methoxy-4'-(3-nitro-9-acridinylamino)-, hydrochloride
The XLogP value of 2.55 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Heptanesulfonanilide, 3'-methoxy-4'-(3-nitro-9-acridinylamino)-, hydrochloride. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Heptanesulfonanilide, 3'-methoxy-4'-(3-nitro-9-acridinylamino)-, hydrochloride. Following Lipinski's Rule of Five, 1-Heptanesulfonanilide, 3'-methoxy-4'-(3-nitro-9-acridinylamino)-, hydrochloride has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Heptanesulfonanilide, 3'-methoxy-4'-(3-nitro-9-acridinylamino)-, hydrochloride?
The CAS number of 1-Heptanesulfonanilide, 3'-methoxy-4'-(3-nitro-9-acridinylamino)-, hydrochloride is 71803-04-8.
What is the molecular formula of 1-Heptanesulfonanilide, 3'-methoxy-4'-(3-nitro-9-acridinylamino)-, hydrochloride?
The molecular formula of 1-Heptanesulfonanilide, 3'-methoxy-4'-(3-nitro-9-acridinylamino)-, hydrochloride is C27H31ClN4O5S.
What is the molecular weight of 1-Heptanesulfonanilide, 3'-methoxy-4'-(3-nitro-9-acridinylamino)-, hydrochloride?
The molecular weight of 1-Heptanesulfonanilide, 3'-methoxy-4'-(3-nitro-9-acridinylamino)-, hydrochloride is 558.17 g/mol.
Where can I buy 1-Heptanesulfonanilide, 3'-methoxy-4'-(3-nitro-9-acridinylamino)-, hydrochloride?
You can request a quote for 1-Heptanesulfonanilide, 3'-methoxy-4'-(3-nitro-9-acridinylamino)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Heptanesulfonanilide, 3'-methoxy-4'-(3-nitro-9-acridinylamino)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Heptanesulfonanilide, 3'-methoxy-4'-(3-nitro-9-acridinylamino)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.