1-Naphthalenesulfonic acid, 5-(dimethylamino)-, phenyl ester
TL;DR: 1-Naphthalenesulfonic acid, 5-(dimethylamino)-, phenyl ester (CAS 55837-12-2) is a chemical compound with molecular formula C18H17NO3S and molecular weight 327.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 5-(dimethylamino)naphthalene-1-sulfonate
Also Known As: phenyl[5-1-naphtylsulfonyl]ether, phenyl 5-(dimethylamino)naphthalene-1-sulfonate, Phenyl 5-(dimethylamino)-1-naphthalenesulfonate, Phenyl 5-(dimethylamino)-1-naphthalenesulfonate #, Phenyl[5-(dimethylamino)-1-naphthylsulfonyl] ether
| Molecular Formula | C18H17NO3S |
|---|---|
| Molecular Weight | 327.09 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.09293 |
| Heavy Atoms | 23 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 55837-12-2 |
|---|---|
| SMILES | CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)OC3=CC=CC=C3 |
| InChIKey | YWDZXOMXNXGRJS-UHFFFAOYSA-N |
Product Overview
1-Naphthalenesulfonic acid, 5-(dimethylamino)-, phenyl ester (CAS 55837-12-2), with molecular formula C18H17NO3S and molecular weight 327.09 g/mol. IUPAC: phenyl 5-(dimethylamino)naphthalene-1-sulfonate.
Chemical Property Profile of 1-Naphthalenesulfonic acid, 5-(dimethylamino)-, phenyl ester
Property Insights of 1-Naphthalenesulfonic acid, 5-(dimethylamino)-, phenyl ester
The XLogP value of 4.5 indicates that 1-Naphthalenesulfonic acid, 5-(dimethylamino)-, phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.0 Ų, 1-Naphthalenesulfonic acid, 5-(dimethylamino)-, phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Naphthalenesulfonic acid, 5-(dimethylamino)-, phenyl ester 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 1-Naphthalenesulfonic acid, 5-(dimethylamino)-, phenyl ester?
The CAS number of 1-Naphthalenesulfonic acid, 5-(dimethylamino)-, phenyl ester is 55837-12-2.
What is the molecular formula of 1-Naphthalenesulfonic acid, 5-(dimethylamino)-, phenyl ester?
The molecular formula of 1-Naphthalenesulfonic acid, 5-(dimethylamino)-, phenyl ester is C18H17NO3S.
What is the molecular weight of 1-Naphthalenesulfonic acid, 5-(dimethylamino)-, phenyl ester?
The molecular weight of 1-Naphthalenesulfonic acid, 5-(dimethylamino)-, phenyl ester is 327.09 g/mol.
Where can I buy 1-Naphthalenesulfonic acid, 5-(dimethylamino)-, phenyl ester?
You can request a quote for 1-Naphthalenesulfonic acid, 5-(dimethylamino)-, phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Naphthalenesulfonic acid, 5-(dimethylamino)-, phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Naphthalenesulfonic acid, 5-(dimethylamino)-, phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.