1-Aminopropan-2-one;4-methylbenzenesulfonic acid
TL;DR: 1-Aminopropan-2-one;4-methylbenzenesulfonic acid (CAS 16414-63-4) is a chemical compound with molecular formula C10H15NO4S and molecular weight 245.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-aminopropan-2-one;4-methylbenzenesulfonic acid
Also Known As: 1-aminopropan-2-one,4-methylbenzenesulfonic acid, 1-aminopropan-2-one;4-methylbenzenesulfonic acid, 1-aminopropan-2-one; 4-methylbenzenesulfonic acid, 4-Methylbenzene-1-sulfonic acid--1-aminopropan-2-one (1/1)
| Molecular Formula | C10H15NO4S |
|---|---|
| Molecular Weight | 245.07 g/mol |
| LogP | 0.77582 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.07217 |
| Heavy Atoms | 16 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 16414-63-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.CC(=O)CN |
| InChIKey | PMUHDRFUEWKRGW-UHFFFAOYSA-N |
Product Overview
1-Aminopropan-2-one;4-methylbenzenesulfonic acid (CAS 16414-63-4), with molecular formula C10H15NO4S and molecular weight 245.07 g/mol. IUPAC: 1-aminopropan-2-one;4-methylbenzenesulfonic acid.
Chemical Property Profile of 1-Aminopropan-2-one;4-methylbenzenesulfonic acid
Property Insights of 1-Aminopropan-2-one;4-methylbenzenesulfonic acid
The XLogP value of 0.77582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Aminopropan-2-one;4-methylbenzenesulfonic acid. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Aminopropan-2-one;4-methylbenzenesulfonic acid. Following Lipinski's Rule of Five, 1-Aminopropan-2-one;4-methylbenzenesulfonic acid has 2 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-Aminopropan-2-one;4-methylbenzenesulfonic acid?
The CAS number of 1-Aminopropan-2-one;4-methylbenzenesulfonic acid is 16414-63-4.
What is the molecular formula of 1-Aminopropan-2-one;4-methylbenzenesulfonic acid?
The molecular formula of 1-Aminopropan-2-one;4-methylbenzenesulfonic acid is C10H15NO4S.
What is the molecular weight of 1-Aminopropan-2-one;4-methylbenzenesulfonic acid?
The molecular weight of 1-Aminopropan-2-one;4-methylbenzenesulfonic acid is 245.07 g/mol.
Where can I buy 1-Aminopropan-2-one;4-methylbenzenesulfonic acid?
You can request a quote for 1-Aminopropan-2-one;4-methylbenzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Aminopropan-2-one;4-methylbenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Aminopropan-2-one;4-methylbenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.