萘-1-基苯磺酸酯
TL;DR: 萘-1-基苯磺酸酯 (CAS 15161-04-3) is a chemical compound with molecular formula C16H12O3S and molecular weight 284.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
萘-1-基苯磺酸酯
naphthalen-1-yl benzenesulfonate
Also Known As: naphthalen-1-yl benzenesulfonate, naphthyl benzenesulfonate, 1-naphthyl benzenesulfonate, 1-naphthyl benzene sulfonate, 1-NAPHTHYL 1-BENZENESULFONATE
| Molecular Formula | C16H12O3S |
|---|---|
| Molecular Weight | 284.05 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.05072 |
| Heavy Atoms | 20 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 15161-04-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC3=CC=CC=C32 |
| InChIKey | CRRWMSRYYSLEBJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
萘-1-基苯磺酸酯 (CAS 15161-04-3), with molecular formula C16H12O3S and molecular weight 284.05 g/mol. IUPAC: naphthalen-1-yl benzenesulfonate.
Chemical Property Profile of 萘-1-基苯磺酸酯
Property Insights of 萘-1-基苯磺酸酯
The XLogP value of 4.3 indicates that 萘-1-基苯磺酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 萘-1-基苯磺酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 萘-1-基苯磺酸酯 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 萘-1-基苯磺酸酯?
The CAS number of 萘-1-基苯磺酸酯 is 15161-04-3.
What is the molecular formula of 萘-1-基苯磺酸酯?
The molecular formula of 萘-1-基苯磺酸酯 is C16H12O3S.
What is the molecular weight of 萘-1-基苯磺酸酯?
The molecular weight of 萘-1-基苯磺酸酯 is 284.05 g/mol.
Where can I buy 萘-1-基苯磺酸酯?
You can request a quote for 萘-1-基苯磺酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 萘-1-基苯磺酸酯?
Yes, KEHONG BIO provides custom synthesis services for 萘-1-基苯磺酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.