Ammonium 2-nitrobutane-1-sulphonate
TL;DR: Ammonium 2-nitrobutane-1-sulphonate (CAS 6293-53-4) is a chemical compound with molecular formula C4H12N2O5S and molecular weight 200.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azane;2-nitrobutane-1-sulfonic acid
Also Known As: Ammonium 2-nitrobutane-1-sulphonate, ammonium 2-nitrobutane-1-sulfonate, Butanesulfonic acid, ammonium salt, 1-Butanesulfonic acid, ammonium salt, azane; 2-nitrobutane-1-sulfonic acid
| Molecular Formula | C4H12N2O5S |
|---|---|
| Molecular Weight | 200.05 g/mol |
| LogP | 0.09 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.04669 |
| Heavy Atoms | 12 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 6293-53-4 |
|---|---|
| SMILES | CCC(CS(=O)(=O)O)[N+](=O)[O-].N |
| InChIKey | IAYJTCDGIDYACG-UHFFFAOYSA-N |
Product Overview
Ammonium 2-nitrobutane-1-sulphonate (CAS 6293-53-4), with molecular formula C4H12N2O5S and molecular weight 200.05 g/mol. IUPAC: azane;2-nitrobutane-1-sulfonic acid.
Chemical Property Profile of Ammonium 2-nitrobutane-1-sulphonate
Property Insights of Ammonium 2-nitrobutane-1-sulphonate
The XLogP value of 0.09 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium 2-nitrobutane-1-sulphonate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ammonium 2-nitrobutane-1-sulphonate. Following Lipinski's Rule of Five, Ammonium 2-nitrobutane-1-sulphonate has 2 hydrogen bond donor(s) and 6 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 Ammonium 2-nitrobutane-1-sulphonate?
The CAS number of Ammonium 2-nitrobutane-1-sulphonate is 6293-53-4.
What is the molecular formula of Ammonium 2-nitrobutane-1-sulphonate?
The molecular formula of Ammonium 2-nitrobutane-1-sulphonate is C4H12N2O5S.
What is the molecular weight of Ammonium 2-nitrobutane-1-sulphonate?
The molecular weight of Ammonium 2-nitrobutane-1-sulphonate is 200.05 g/mol.
Where can I buy Ammonium 2-nitrobutane-1-sulphonate?
You can request a quote for Ammonium 2-nitrobutane-1-sulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium 2-nitrobutane-1-sulphonate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium 2-nitrobutane-1-sulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.