Naphthalenesulfonic acid, bis(1-methylethyl)-, ammonium salt (1:1)
TL;DR: Naphthalenesulfonic acid, bis(1-methylethyl)-, ammonium salt (1:1) (CAS 79820-01-2) is a chemical compound with molecular formula C16H23NO3S and molecular weight 309.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azanium 2,3-di(propan-2-yl)naphthalene-1-sulfonate
Also Known As: Ammonium diisopropylnaphthalenesulphonate, Ammonium bis(1-isopropyl)naphthalenesulfonate, Ammonium diisopropylnaphthalenesulfonate, ammoniumdiisopropylnaphthalenesulphonate, ammonium 2,3-diisopropylnaphthalene-1-sulfonate
| Molecular Formula | C16H23NO3S |
|---|---|
| Molecular Weight | 309.14 g/mol |
| LogP | 4.3669 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.13986 |
| Heavy Atoms | 21 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 79820-01-2 |
|---|---|
| SMILES | CC(C)C1=CC2=CC=CC=C2C(=C1C(C)C)S(=O)(=O)[O-].[NH4+] |
| InChIKey | CCIFHODZBDSCOI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Naphthalenesulfonic acid, bis(1-methylethyl)-, ammonium salt (1:1) (CAS 79820-01-2), with molecular formula C16H23NO3S and molecular weight 309.14 g/mol. IUPAC: azanium 2,3-di(propan-2-yl)naphthalene-1-sulfonate.
Chemical Property Profile of Naphthalenesulfonic acid, bis(1-methylethyl)-, ammonium salt (1:1)
Property Insights of Naphthalenesulfonic acid, bis(1-methylethyl)-, ammonium salt (1:1)
The XLogP value of 4.3669 indicates that Naphthalenesulfonic acid, bis(1-methylethyl)-, ammonium salt (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Naphthalenesulfonic acid, bis(1-methylethyl)-, ammonium salt (1:1). Following Lipinski's Rule of Five, Naphthalenesulfonic acid, bis(1-methylethyl)-, ammonium salt (1:1) has 1 hydrogen bond donor(s) and 3 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 Naphthalenesulfonic acid, bis(1-methylethyl)-, ammonium salt (1:1)?
The CAS number of Naphthalenesulfonic acid, bis(1-methylethyl)-, ammonium salt (1:1) is 79820-01-2.
What is the molecular formula of Naphthalenesulfonic acid, bis(1-methylethyl)-, ammonium salt (1:1)?
The molecular formula of Naphthalenesulfonic acid, bis(1-methylethyl)-, ammonium salt (1:1) is C16H23NO3S.
What is the molecular weight of Naphthalenesulfonic acid, bis(1-methylethyl)-, ammonium salt (1:1)?
The molecular weight of Naphthalenesulfonic acid, bis(1-methylethyl)-, ammonium salt (1:1) is 309.14 g/mol.
Where can I buy Naphthalenesulfonic acid, bis(1-methylethyl)-, ammonium salt (1:1)?
You can request a quote for Naphthalenesulfonic acid, bis(1-methylethyl)-, ammonium salt (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Naphthalenesulfonic acid, bis(1-methylethyl)-, ammonium salt (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Naphthalenesulfonic acid, bis(1-methylethyl)-, ammonium salt (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.