Ammonium 4-(benzylamino)benzenesulphonate
TL;DR: Ammonium 4-(benzylamino)benzenesulphonate (CAS 94249-07-7) is a chemical compound with molecular formula C13H16N2O3S and molecular weight 280.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azanium 4-(benzylamino)benzenesulfonate
Also Known As: Ammonium 4-(benzylamino)benzenesulphonate, EINECS 304-383-8, Ammonium 4-[benzylamino]benzenesulfonate, azanium 4-(benzylamino)benzenesulfonate, ammonium4-[benzylamino]benzenesulphonate
| Molecular Formula | C13H16N2O3S |
|---|---|
| Molecular Weight | 280.09 g/mol |
| LogP | 2.579 |
| Topological Polar Surface Area | 105.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.08817 |
| Heavy Atoms | 19 |
| Complexity | 610.09644 |
Chemical Identifiers
| CAS Number | 94249-07-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=CC=C(C=C2)S(=O)(=O)[O-].[NH4+] |
Product Overview
Ammonium 4-(benzylamino)benzenesulphonate (CAS 94249-07-7), with molecular formula C13H16N2O3S and molecular weight 280.09 g/mol. IUPAC: azanium 4-(benzylamino)benzenesulfonate.
Chemical Property Profile of Ammonium 4-(benzylamino)benzenesulphonate
Property Insights of Ammonium 4-(benzylamino)benzenesulphonate
The XLogP value of 2.579 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium 4-(benzylamino)benzenesulphonate. The TPSA of 105.73 Ų falls within the moderate polarity range, balancing permeability and solubility for Ammonium 4-(benzylamino)benzenesulphonate. Following Lipinski's Rule of Five, Ammonium 4-(benzylamino)benzenesulphonate has 2 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 Ammonium 4-(benzylamino)benzenesulphonate?
The CAS number of Ammonium 4-(benzylamino)benzenesulphonate is 94249-07-7.
What is the molecular formula of Ammonium 4-(benzylamino)benzenesulphonate?
The molecular formula of Ammonium 4-(benzylamino)benzenesulphonate is C13H16N2O3S.
What is the molecular weight of Ammonium 4-(benzylamino)benzenesulphonate?
The molecular weight of Ammonium 4-(benzylamino)benzenesulphonate is 280.09 g/mol.
Where can I buy Ammonium 4-(benzylamino)benzenesulphonate?
You can request a quote for Ammonium 4-(benzylamino)benzenesulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium 4-(benzylamino)benzenesulphonate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium 4-(benzylamino)benzenesulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.