A3951/0168331
TL;DR: A3951/0168331 (CAS 889956-71-2) is a chemical compound with molecular formula C17H16N2O5S and molecular weight 360.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
Also Known As: A3951/0168331, N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide, N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide, N-(1,3-Benzodioxol-5-ylmethyl)-2,3-dihydro-1-methyl-2-oxo-1H-indole-5-sulfonamide, N-[(2H-1,3-Benzodioxol-5-yl)methyl]-1-methyl-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide
| Molecular Formula | C17H16N2O5S |
|---|---|
| Molecular Weight | 360.08 g/mol |
| LogP | 1.4127 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.078 |
| Heavy Atoms | 25 |
| Complexity | 970.99866 |
Chemical Identifiers
| CAS Number | 889956-71-2 |
|---|---|
| SMILES | CN1C(=O)CC2=C1C=CC(=C2)S(=O)(=O)NCC3=CC4=C(C=C3)OCO4 |
Product Overview
A3951/0168331 (CAS 889956-71-2), with molecular formula C17H16N2O5S and molecular weight 360.08 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide.
Chemical Property Profile of A3951/0168331
Property Insights of A3951/0168331
The XLogP value of 1.4127 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3951/0168331. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for A3951/0168331. Following Lipinski's Rule of Five, A3951/0168331 has 1 hydrogen bond donor(s) and 5 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 A3951/0168331?
The CAS number of A3951/0168331 is 889956-71-2.
What is the molecular formula of A3951/0168331?
The molecular formula of A3951/0168331 is C17H16N2O5S.
What is the molecular weight of A3951/0168331?
The molecular weight of A3951/0168331 is 360.08 g/mol.
Where can I buy A3951/0168331?
You can request a quote for A3951/0168331 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3951/0168331?
Yes, KEHONG BIO provides custom synthesis services for A3951/0168331 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.