2-(Phenylmethyl)-1-naphthalenesulfonic acid
TL;DR: 2-(Phenylmethyl)-1-naphthalenesulfonic acid (CAS 958781-08-3) is a chemical compound with molecular formula C17H14O3S and molecular weight 298.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylnaphthalene-1-sulfonic acid
Also Known As: (Phenylmethyl)naphthalenesulphonic acid, 2-benzylnaphthalene-1-sulfonic acid, EINECS 262-930-5, 2-(Phenylmethyl)-1-naphthalenesulfonic acid, (Phenylmethyl)naphthalenesulfonic acid
| Molecular Formula | C17H14O3S |
|---|---|
| Molecular Weight | 298.07 g/mol |
| LogP | 3.6773 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.06638 |
| Heavy Atoms | 21 |
| Complexity | 884.3121 |
Chemical Identifiers
| CAS Number | 958781-08-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3C=C2)S(=O)(=O)O |
Product Overview
2-(Phenylmethyl)-1-naphthalenesulfonic acid (CAS 958781-08-3), with molecular formula C17H14O3S and molecular weight 298.07 g/mol. IUPAC: 2-benzylnaphthalene-1-sulfonic acid.
Chemical Property Profile of 2-(Phenylmethyl)-1-naphthalenesulfonic acid
Property Insights of 2-(Phenylmethyl)-1-naphthalenesulfonic acid
The XLogP value of 3.6773 indicates that 2-(Phenylmethyl)-1-naphthalenesulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, 2-(Phenylmethyl)-1-naphthalenesulfonic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Phenylmethyl)-1-naphthalenesulfonic acid has 1 hydrogen bond donor(s) and 2 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 2-(Phenylmethyl)-1-naphthalenesulfonic acid?
The CAS number of 2-(Phenylmethyl)-1-naphthalenesulfonic acid is 958781-08-3.
What is the molecular formula of 2-(Phenylmethyl)-1-naphthalenesulfonic acid?
The molecular formula of 2-(Phenylmethyl)-1-naphthalenesulfonic acid is C17H14O3S.
What is the molecular weight of 2-(Phenylmethyl)-1-naphthalenesulfonic acid?
The molecular weight of 2-(Phenylmethyl)-1-naphthalenesulfonic acid is 298.07 g/mol.
Where can I buy 2-(Phenylmethyl)-1-naphthalenesulfonic acid?
You can request a quote for 2-(Phenylmethyl)-1-naphthalenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Phenylmethyl)-1-naphthalenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Phenylmethyl)-1-naphthalenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.