Nekal
TL;DR: Nekal (CAS 12653-75-7) is a chemical compound with molecular formula C16H19O3S- and molecular weight 291.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-di(propan-2-yl)naphthalene-1-sulfonate
Also Known As: Nekal, Diisopropylnaphthalenesulfonate, 2,3-di(propan-2-yl)naphthalene-1-sulfonate, RefChem:927572
| Molecular Formula | C16H19O3S- |
|---|---|
| Molecular Weight | 291.11 g/mol |
| LogP | 3.9907 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.1055 |
| Heavy Atoms | 20 |
| Complexity | 743.6512 |
Chemical Identifiers
| CAS Number | 12653-75-7 |
|---|---|
| SMILES | CC(C)C1=CC2=CC=CC=C2C(=C1C(C)C)S(=O)(=O)[O-] |
Product Overview
Nekal (CAS 12653-75-7), with molecular formula C16H19O3S- and molecular weight 291.11 g/mol. IUPAC: 2,3-di(propan-2-yl)naphthalene-1-sulfonate.
Chemical Property Profile of Nekal
Property Insights of Nekal
The XLogP value of 3.9907 indicates that Nekal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.2 Ų, Nekal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nekal has 0 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 Nekal?
The CAS number of Nekal is 12653-75-7.
What is the molecular formula of Nekal?
The molecular formula of Nekal is C16H19O3S-.
What is the molecular weight of Nekal?
The molecular weight of Nekal is 291.11 g/mol.
Where can I buy Nekal?
You can request a quote for Nekal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nekal?
Yes, KEHONG BIO provides custom synthesis services for Nekal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.