1-(1H-indol-3-yl)-2-nitroethanesulfonate
TL;DR: 1-(1H-indol-3-yl)-2-nitroethanesulfonate (CAS 32547-30-1) is a chemical compound with molecular formula C10H9N2O5S- and molecular weight 269.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1H-indol-3-yl)-2-nitroethanesulfonate
Also Known As: 1-(1H-indol-3-yl)-2-nitroethanesulfonate, 1-(1H-indol-3-yl)-2-nitroethane-1-sulfonate
| Molecular Formula | C10H9N2O5S- |
|---|---|
| Molecular Weight | 269.02 g/mol |
| LogP | 1.0309 |
| Topological Polar Surface Area | 116.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.02322 |
| Heavy Atoms | 18 |
| Complexity | 691.1109 |
Chemical Identifiers
| CAS Number | 32547-30-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)C(C[N+](=O)[O-])S(=O)(=O)[O-] |
Product Overview
1-(1H-indol-3-yl)-2-nitroethanesulfonate (CAS 32547-30-1), with molecular formula C10H9N2O5S- and molecular weight 269.02 g/mol. IUPAC: 1-(1H-indol-3-yl)-2-nitroethanesulfonate.
Chemical Property Profile of 1-(1H-indol-3-yl)-2-nitroethanesulfonate
Property Insights of 1-(1H-indol-3-yl)-2-nitroethanesulfonate
The XLogP value of 1.0309 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1H-indol-3-yl)-2-nitroethanesulfonate. The TPSA of 116.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1H-indol-3-yl)-2-nitroethanesulfonate. Following Lipinski's Rule of Five, 1-(1H-indol-3-yl)-2-nitroethanesulfonate 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 1-(1H-indol-3-yl)-2-nitroethanesulfonate?
The CAS number of 1-(1H-indol-3-yl)-2-nitroethanesulfonate is 32547-30-1.
What is the molecular formula of 1-(1H-indol-3-yl)-2-nitroethanesulfonate?
The molecular formula of 1-(1H-indol-3-yl)-2-nitroethanesulfonate is C10H9N2O5S-.
What is the molecular weight of 1-(1H-indol-3-yl)-2-nitroethanesulfonate?
The molecular weight of 1-(1H-indol-3-yl)-2-nitroethanesulfonate is 269.02 g/mol.
Where can I buy 1-(1H-indol-3-yl)-2-nitroethanesulfonate?
You can request a quote for 1-(1H-indol-3-yl)-2-nitroethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1H-indol-3-yl)-2-nitroethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1-(1H-indol-3-yl)-2-nitroethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.