3-(4-Methyl-2-nitrophenoxy)propanesulphonic acid
TL;DR: 3-(4-Methyl-2-nitrophenoxy)propanesulphonic acid (CAS 79817-53-1) is a chemical compound with molecular formula C10H13NO6S and molecular weight 275.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methyl-2-nitrophenoxy)propane-1-sulfonic acid
Also Known As: 3- propanesulphonicacid, EINECS 279-284-5, 3-(4-Methyl-2-nitrophenoxy)propanesulphonic acid, 3-(4-methyl-2-nitrophenoxy)propane-1-sulfonic acid, 3-(4-Methyl-2-nitrophenoxy)-1-propanesulfonic acid
| Molecular Formula | C10H13NO6S |
|---|---|
| Molecular Weight | 275.05 g/mol |
| LogP | 1.55992 |
| Topological Polar Surface Area | 106.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 275.04636 |
| Heavy Atoms | 18 |
| Complexity | 539.29895 |
Chemical Identifiers
| CAS Number | 79817-53-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OCCCS(=O)(=O)O)[N+](=O)[O-] |
Product Overview
3-(4-Methyl-2-nitrophenoxy)propanesulphonic acid (CAS 79817-53-1), with molecular formula C10H13NO6S and molecular weight 275.05 g/mol. IUPAC: 3-(4-methyl-2-nitrophenoxy)propane-1-sulfonic acid.
Chemical Property Profile of 3-(4-Methyl-2-nitrophenoxy)propanesulphonic acid
Property Insights of 3-(4-Methyl-2-nitrophenoxy)propanesulphonic acid
The XLogP value of 1.55992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Methyl-2-nitrophenoxy)propanesulphonic acid. The TPSA of 106.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Methyl-2-nitrophenoxy)propanesulphonic acid. Following Lipinski's Rule of Five, 3-(4-Methyl-2-nitrophenoxy)propanesulphonic acid 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 3-(4-Methyl-2-nitrophenoxy)propanesulphonic acid?
The CAS number of 3-(4-Methyl-2-nitrophenoxy)propanesulphonic acid is 79817-53-1.
What is the molecular formula of 3-(4-Methyl-2-nitrophenoxy)propanesulphonic acid?
The molecular formula of 3-(4-Methyl-2-nitrophenoxy)propanesulphonic acid is C10H13NO6S.
What is the molecular weight of 3-(4-Methyl-2-nitrophenoxy)propanesulphonic acid?
The molecular weight of 3-(4-Methyl-2-nitrophenoxy)propanesulphonic acid is 275.05 g/mol.
Where can I buy 3-(4-Methyl-2-nitrophenoxy)propanesulphonic acid?
You can request a quote for 3-(4-Methyl-2-nitrophenoxy)propanesulphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methyl-2-nitrophenoxy)propanesulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methyl-2-nitrophenoxy)propanesulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.