2-Methyl-3-(2-methylprop-2-enoylamino)propane-1-sulfonate
TL;DR: 2-Methyl-3-(2-methylprop-2-enoylamino)propane-1-sulfonate (CAS 80675-31-6) is a chemical compound with molecular formula C8H14NO4S- and molecular weight 220.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-(2-methylprop-2-enoylamino)propane-1-sulfonate
Also Known As: EINECS 279-529-6, 2-methyl-3-[ amino]propanesulphonate, 2-Methyl-3-((2-methyl-1-oxoallyl)amino)propanesulphonate, 2-methyl-3-(2-methylprop-2-enoylamino)propane-1-sulfonate, 2-methyl-3-[(2-methyl-1-oxoallyl)amino]propanesulphonate
| Molecular Formula | C8H14NO4S- |
|---|---|
| Molecular Weight | 220.06 g/mol |
| LogP | -0.14 |
| Topological Polar Surface Area | 86.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 220.06436 |
| Heavy Atoms | 14 |
| Complexity | 320.23297 |
Chemical Identifiers
| CAS Number | 80675-31-6 |
|---|---|
| SMILES | CC(CNC(=O)C(=C)C)CS(=O)(=O)[O-] |
Product Overview
2-Methyl-3-(2-methylprop-2-enoylamino)propane-1-sulfonate (CAS 80675-31-6), with molecular formula C8H14NO4S- and molecular weight 220.06 g/mol. IUPAC: 2-methyl-3-(2-methylprop-2-enoylamino)propane-1-sulfonate.
Chemical Property Profile of 2-Methyl-3-(2-methylprop-2-enoylamino)propane-1-sulfonate
Property Insights of 2-Methyl-3-(2-methylprop-2-enoylamino)propane-1-sulfonate
The XLogP value of -0.14 indicates that 2-Methyl-3-(2-methylprop-2-enoylamino)propane-1-sulfonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-3-(2-methylprop-2-enoylamino)propane-1-sulfonate. Following Lipinski's Rule of Five, 2-Methyl-3-(2-methylprop-2-enoylamino)propane-1-sulfonate has 1 hydrogen bond donor(s) and 4 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 2-Methyl-3-(2-methylprop-2-enoylamino)propane-1-sulfonate?
The CAS number of 2-Methyl-3-(2-methylprop-2-enoylamino)propane-1-sulfonate is 80675-31-6.
What is the molecular formula of 2-Methyl-3-(2-methylprop-2-enoylamino)propane-1-sulfonate?
The molecular formula of 2-Methyl-3-(2-methylprop-2-enoylamino)propane-1-sulfonate is C8H14NO4S-.
What is the molecular weight of 2-Methyl-3-(2-methylprop-2-enoylamino)propane-1-sulfonate?
The molecular weight of 2-Methyl-3-(2-methylprop-2-enoylamino)propane-1-sulfonate is 220.06 g/mol.
Where can I buy 2-Methyl-3-(2-methylprop-2-enoylamino)propane-1-sulfonate?
You can request a quote for 2-Methyl-3-(2-methylprop-2-enoylamino)propane-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-3-(2-methylprop-2-enoylamino)propane-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-3-(2-methylprop-2-enoylamino)propane-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.