Naphthalen-1-yl 4-methoxybenzenesulfonate
TL;DR: Naphthalen-1-yl 4-methoxybenzenesulfonate (CAS 123412-33-9) is a chemical compound with molecular formula C17H14O4S and molecular weight 314.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
naphthalen-1-yl 4-methoxybenzenesulfonate
Also Known As: naphthalen-1-yl 4-methoxybenzenesulfonate, 1-naphthyl 4-methoxybenzenesulfonate, BAS 02106383, naphthalen-1-yl 4-methoxybenzene-1-sulfonate, 4-Methoxybenzenesulfonic acid 1-naphthalenyl ester
| Molecular Formula | C17H14O4S |
|---|---|
| Molecular Weight | 314.06 g/mol |
| LogP | 3.6161 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.06128 |
| Heavy Atoms | 22 |
| Complexity | 894.1001 |
Chemical Identifiers
| CAS Number | 123412-33-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC3=CC=CC=C32 |
Product Overview
Naphthalen-1-yl 4-methoxybenzenesulfonate (CAS 123412-33-9), with molecular formula C17H14O4S and molecular weight 314.06 g/mol. IUPAC: naphthalen-1-yl 4-methoxybenzenesulfonate.
Chemical Property Profile of Naphthalen-1-yl 4-methoxybenzenesulfonate
Property Insights of Naphthalen-1-yl 4-methoxybenzenesulfonate
The XLogP value of 3.6161 indicates that Naphthalen-1-yl 4-methoxybenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Naphthalen-1-yl 4-methoxybenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Naphthalen-1-yl 4-methoxybenzenesulfonate has 0 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 Naphthalen-1-yl 4-methoxybenzenesulfonate?
The CAS number of Naphthalen-1-yl 4-methoxybenzenesulfonate is 123412-33-9.
What is the molecular formula of Naphthalen-1-yl 4-methoxybenzenesulfonate?
The molecular formula of Naphthalen-1-yl 4-methoxybenzenesulfonate is C17H14O4S.
What is the molecular weight of Naphthalen-1-yl 4-methoxybenzenesulfonate?
The molecular weight of Naphthalen-1-yl 4-methoxybenzenesulfonate is 314.06 g/mol.
Where can I buy Naphthalen-1-yl 4-methoxybenzenesulfonate?
You can request a quote for Naphthalen-1-yl 4-methoxybenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Naphthalen-1-yl 4-methoxybenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Naphthalen-1-yl 4-methoxybenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.