AUTEN-67 (inner salt)
TL;DR: AUTEN-67 (inner salt) (CAS 301154-74-5) is a chemical compound with molecular formula C23H14N4O6S and molecular weight 474.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(benzimidazol-1-yl)-1,4-dioxonaphthalen-2-yl]-4-nitrobenzenesulfonamide
Also Known As: AUTEN-67 (inner salt), N-[3-(1H-1,3-benzodiazol-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]-4-nitrobenzene-1-sulfonamide, J3.691.354A, N-[3-(benzimidazol-1-yl)-1,4-dioxonaphthalen-2-yl]-4-nitrobenzenesulfonamide, 1-(3-[(4-Nitrobenzenesulfonyl)azanidyl]-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-3h-1lambda(5),3-benzodiazol-1-ylium
| Molecular Formula | C23H14N4O6S |
|---|---|
| Molecular Weight | 474.06 g/mol |
| LogP | 3.1708 |
| Topological Polar Surface Area | 141.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 474.06342 |
| Heavy Atoms | 34 |
| Complexity | 1652.3038 |
Chemical Identifiers
| CAS Number | 301154-74-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(=C(C2=O)N3C=NC4=CC=CC=C43)NS(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
AUTEN-67 (inner salt) (CAS 301154-74-5), with molecular formula C23H14N4O6S and molecular weight 474.06 g/mol. IUPAC: N-[3-(benzimidazol-1-yl)-1,4-dioxonaphthalen-2-yl]-4-nitrobenzenesulfonamide.
Chemical Property Profile of AUTEN-67 (inner salt)
Property Insights of AUTEN-67 (inner salt)
The XLogP value of 3.1708 indicates that AUTEN-67 (inner salt) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.27 Ų indicates high polarity, suggesting AUTEN-67 (inner salt) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AUTEN-67 (inner salt) has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AUTEN-67 (inner salt)?
The CAS number of AUTEN-67 (inner salt) is 301154-74-5.
What is the molecular formula of AUTEN-67 (inner salt)?
The molecular formula of AUTEN-67 (inner salt) is C23H14N4O6S.
What is the molecular weight of AUTEN-67 (inner salt)?
The molecular weight of AUTEN-67 (inner salt) is 474.06 g/mol.
Where can I buy AUTEN-67 (inner salt)?
You can request a quote for AUTEN-67 (inner salt) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AUTEN-67 (inner salt)?
Yes, KEHONG BIO provides custom synthesis services for AUTEN-67 (inner salt) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.