Naphthalen-1-yl 4-bromobenzene-1-sulfonate
TL;DR: Naphthalen-1-yl 4-bromobenzene-1-sulfonate (CAS 7500-96-1) is a chemical compound with molecular formula C16H11BrO3S and molecular weight 361.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
naphthalen-1-yl 4-bromobenzenesulfonate
Also Known As: naphthalen-1-yl 4-bromobenzenesulfonate, Naphthalen-1-yl 4-bromobenzene-1-sulfonate, 1-naphthyl 4-bromobenzenesulfonate, p-Bromobenzenesulfonic acid, 1-naphthyl ester
| Molecular Formula | C16H11BrO3S |
|---|---|
| Molecular Weight | 361.96 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 361.96124 |
| Heavy Atoms | 21 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 7500-96-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2OS(=O)(=O)C3=CC=C(C=C3)Br |
| InChIKey | IVNVMGYMJLUKDY-UHFFFAOYSA-N |
Product Overview
Naphthalen-1-yl 4-bromobenzene-1-sulfonate (CAS 7500-96-1), with molecular formula C16H11BrO3S and molecular weight 361.96 g/mol. IUPAC: naphthalen-1-yl 4-bromobenzenesulfonate.
Chemical Property Profile of Naphthalen-1-yl 4-bromobenzene-1-sulfonate
Property Insights of Naphthalen-1-yl 4-bromobenzene-1-sulfonate
The XLogP value of 5.0 indicates that Naphthalen-1-yl 4-bromobenzene-1-sulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, Naphthalen-1-yl 4-bromobenzene-1-sulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Naphthalen-1-yl 4-bromobenzene-1-sulfonate 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 Naphthalen-1-yl 4-bromobenzene-1-sulfonate?
The CAS number of Naphthalen-1-yl 4-bromobenzene-1-sulfonate is 7500-96-1.
What is the molecular formula of Naphthalen-1-yl 4-bromobenzene-1-sulfonate?
The molecular formula of Naphthalen-1-yl 4-bromobenzene-1-sulfonate is C16H11BrO3S.
What is the molecular weight of Naphthalen-1-yl 4-bromobenzene-1-sulfonate?
The molecular weight of Naphthalen-1-yl 4-bromobenzene-1-sulfonate is 361.96 g/mol.
Where can I buy Naphthalen-1-yl 4-bromobenzene-1-sulfonate?
You can request a quote for Naphthalen-1-yl 4-bromobenzene-1-sulfonate 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-bromobenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for Naphthalen-1-yl 4-bromobenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.