(5-Nitro-1,3-dioxo-isoindolin-2-yl) propane-2-sulfonate
TL;DR: (5-Nitro-1,3-dioxo-isoindolin-2-yl) propane-2-sulfonate (CAS 105969-97-9) is a chemical compound with molecular formula C11H10N2O7S and molecular weight 314.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-nitro-1,3-dioxoisoindol-2-yl) propane-2-sulfonate
Also Known As: NCI60_010094, 2-[(isopropylsulfonyl)oxy]-6-nitro-1H-isoindole-1,3-dione, (5-nitro-1,3-dioxoisoindol-2-yl) propane-2-sulfonate, (5-nitro-1,3-dioxo-isoindolin-2-yl) propane-2-sulfonate, 5-nitro-2-[(propan-2-ylsulfonyl)oxy]-1h-isoindole-1,3(2h)-dione
| Molecular Formula | C11H10N2O7S |
|---|---|
| Molecular Weight | 314.02 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.02087 |
| Heavy Atoms | 21 |
| Complexity | 574.0 |
Chemical Identifiers
| CAS Number | 105969-97-9 |
|---|---|
| SMILES | CC(C)S(=O)(=O)ON1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-] |
| InChIKey | MOVHDWSRFWRKKW-UHFFFAOYSA-N |
Product Overview
(5-Nitro-1,3-dioxo-isoindolin-2-yl) propane-2-sulfonate (CAS 105969-97-9), with molecular formula C11H10N2O7S and molecular weight 314.02 g/mol. IUPAC: (5-nitro-1,3-dioxoisoindol-2-yl) propane-2-sulfonate.
Chemical Property Profile of (5-Nitro-1,3-dioxo-isoindolin-2-yl) propane-2-sulfonate
Property Insights of (5-Nitro-1,3-dioxo-isoindolin-2-yl) propane-2-sulfonate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Nitro-1,3-dioxo-isoindolin-2-yl) propane-2-sulfonate. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Nitro-1,3-dioxo-isoindolin-2-yl) propane-2-sulfonate. Following Lipinski's Rule of Five, (5-Nitro-1,3-dioxo-isoindolin-2-yl) propane-2-sulfonate has 0 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 (5-Nitro-1,3-dioxo-isoindolin-2-yl) propane-2-sulfonate?
The CAS number of (5-Nitro-1,3-dioxo-isoindolin-2-yl) propane-2-sulfonate is 105969-97-9.
What is the molecular formula of (5-Nitro-1,3-dioxo-isoindolin-2-yl) propane-2-sulfonate?
The molecular formula of (5-Nitro-1,3-dioxo-isoindolin-2-yl) propane-2-sulfonate is C11H10N2O7S.
What is the molecular weight of (5-Nitro-1,3-dioxo-isoindolin-2-yl) propane-2-sulfonate?
The molecular weight of (5-Nitro-1,3-dioxo-isoindolin-2-yl) propane-2-sulfonate is 314.02 g/mol.
Where can I buy (5-Nitro-1,3-dioxo-isoindolin-2-yl) propane-2-sulfonate?
You can request a quote for (5-Nitro-1,3-dioxo-isoindolin-2-yl) propane-2-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Nitro-1,3-dioxo-isoindolin-2-yl) propane-2-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for (5-Nitro-1,3-dioxo-isoindolin-2-yl) propane-2-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.