4-nitrophenyl 1-(1H-indol-2-yl)isoquinoline-2(1H)-sulfinate
TL;DR: 4-nitrophenyl 1-(1H-indol-2-yl)isoquinoline-2(1H)-sulfinate (CAS 1022755-98-1) is a chemical compound with molecular formula C23H17N3O4S and molecular weight 431.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 1-(1H-indol-2-yl)-1H-isoquinoline-2-sulfinate
Also Known As: 1-(1H-indol-2-yl)-2-(4-nitrophenoxy)sulfinyl-1H-isoquinoline, 4-nitrophenyl 1-(1H-indol-2-yl)isoquinoline-2(1H)-sulfinate, (4-nitrophenyl) 1-(1H-indol-2-yl)-1H-isoquinoline-2-sulfinate
| Molecular Formula | C23H17N3O4S |
|---|---|
| Molecular Weight | 431.09 g/mol |
| LogP | 5.1095 |
| Topological Polar Surface Area | 88.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.09396 |
| Heavy Atoms | 31 |
| Complexity | 1297.1764 |
Chemical Identifiers
| CAS Number | 1022755-98-1 |
|---|---|
| SMILES | C1=CC=C2C(N(C=CC2=C1)S(=O)OC3=CC=C(C=C3)[N+](=O)[O-])C4=CC5=CC=CC=C5N4 |
Product Overview
4-nitrophenyl 1-(1H-indol-2-yl)isoquinoline-2(1H)-sulfinate (CAS 1022755-98-1), with molecular formula C23H17N3O4S and molecular weight 431.09 g/mol. IUPAC: (4-nitrophenyl) 1-(1H-indol-2-yl)-1H-isoquinoline-2-sulfinate.
Chemical Property Profile of 4-nitrophenyl 1-(1H-indol-2-yl)isoquinoline-2(1H)-sulfinate
Property Insights of 4-nitrophenyl 1-(1H-indol-2-yl)isoquinoline-2(1H)-sulfinate
The XLogP value of 5.1095 indicates that 4-nitrophenyl 1-(1H-indol-2-yl)isoquinoline-2(1H)-sulfinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-nitrophenyl 1-(1H-indol-2-yl)isoquinoline-2(1H)-sulfinate. Following Lipinski's Rule of Five, 4-nitrophenyl 1-(1H-indol-2-yl)isoquinoline-2(1H)-sulfinate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-nitrophenyl 1-(1H-indol-2-yl)isoquinoline-2(1H)-sulfinate?
The CAS number of 4-nitrophenyl 1-(1H-indol-2-yl)isoquinoline-2(1H)-sulfinate is 1022755-98-1.
What is the molecular formula of 4-nitrophenyl 1-(1H-indol-2-yl)isoquinoline-2(1H)-sulfinate?
The molecular formula of 4-nitrophenyl 1-(1H-indol-2-yl)isoquinoline-2(1H)-sulfinate is C23H17N3O4S.
What is the molecular weight of 4-nitrophenyl 1-(1H-indol-2-yl)isoquinoline-2(1H)-sulfinate?
The molecular weight of 4-nitrophenyl 1-(1H-indol-2-yl)isoquinoline-2(1H)-sulfinate is 431.09 g/mol.
Where can I buy 4-nitrophenyl 1-(1H-indol-2-yl)isoquinoline-2(1H)-sulfinate?
You can request a quote for 4-nitrophenyl 1-(1H-indol-2-yl)isoquinoline-2(1H)-sulfinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-nitrophenyl 1-(1H-indol-2-yl)isoquinoline-2(1H)-sulfinate?
Yes, KEHONG BIO provides custom synthesis services for 4-nitrophenyl 1-(1H-indol-2-yl)isoquinoline-2(1H)-sulfinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.