3-(3-Hydroxy-4-nitroso-N-propylanilino)propanesulfonic acid
TL;DR: 3-(3-Hydroxy-4-nitroso-N-propylanilino)propanesulfonic acid (CAS 80459-15-0) is a chemical compound with molecular formula C12H18N2O5S and molecular weight 302.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-hydroxy-4-nitroso-N-propylanilino)propane-1-sulfonic acid
Also Known As: Nitroso-PSAP, 2-NITROSO-5- PHENOL, 3-(3-Hydroxy-4-nitroso-N-propylanilino)propanesulfonic acid, 3-(3-hydroxy-4-nitroso-N-propylanilino)propane-1-sulfonic acid, 2-Nitroso-5-(N-propyl-3-sulfopropylamino)phenol
| Molecular Formula | C12H18N2O5S |
|---|---|
| Molecular Weight | 302.09 g/mol |
| LogP | 2.2844 |
| Topological Polar Surface Area | 107.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 302.09363 |
| Heavy Atoms | 20 |
| Complexity | 558.9661 |
Chemical Identifiers
| CAS Number | 80459-15-0 |
|---|---|
| SMILES | CCCN(CCCS(=O)(=O)O)C1=CC(=C(C=C1)N=O)O |
Product Overview
3-(3-Hydroxy-4-nitroso-N-propylanilino)propanesulfonic acid (CAS 80459-15-0), with molecular formula C12H18N2O5S and molecular weight 302.09 g/mol. IUPAC: 3-(3-hydroxy-4-nitroso-N-propylanilino)propane-1-sulfonic acid.
Chemical Property Profile of 3-(3-Hydroxy-4-nitroso-N-propylanilino)propanesulfonic acid
Property Insights of 3-(3-Hydroxy-4-nitroso-N-propylanilino)propanesulfonic acid
The XLogP value of 2.2844 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Hydroxy-4-nitroso-N-propylanilino)propanesulfonic acid. The TPSA of 107.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Hydroxy-4-nitroso-N-propylanilino)propanesulfonic acid. Following Lipinski's Rule of Five, 3-(3-Hydroxy-4-nitroso-N-propylanilino)propanesulfonic acid 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 3-(3-Hydroxy-4-nitroso-N-propylanilino)propanesulfonic acid?
The CAS number of 3-(3-Hydroxy-4-nitroso-N-propylanilino)propanesulfonic acid is 80459-15-0.
What is the molecular formula of 3-(3-Hydroxy-4-nitroso-N-propylanilino)propanesulfonic acid?
The molecular formula of 3-(3-Hydroxy-4-nitroso-N-propylanilino)propanesulfonic acid is C12H18N2O5S.
What is the molecular weight of 3-(3-Hydroxy-4-nitroso-N-propylanilino)propanesulfonic acid?
The molecular weight of 3-(3-Hydroxy-4-nitroso-N-propylanilino)propanesulfonic acid is 302.09 g/mol.
Where can I buy 3-(3-Hydroxy-4-nitroso-N-propylanilino)propanesulfonic acid?
You can request a quote for 3-(3-Hydroxy-4-nitroso-N-propylanilino)propanesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Hydroxy-4-nitroso-N-propylanilino)propanesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Hydroxy-4-nitroso-N-propylanilino)propanesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.