2-(5-(Dimethylamino)naphthalene-1-sulfonamido)-3-phenylpropanoic acid
TL;DR: 2-(5-(Dimethylamino)naphthalene-1-sulfonamido)-3-phenylpropanoic acid (CAS 1104-36-5) is a chemical compound with molecular formula C21H22N2O4S and molecular weight 398.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-phenylpropanoic acid
Also Known As: Dansyl-L-phenylalanine, Dansylphenylalanine, dansyl-phenylalanine, dansyl-DL-Phe, dansyl-dl-phenylalanine
| Molecular Formula | C21H22N2O4S |
|---|---|
| Molecular Weight | 398.13 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 95.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.13004 |
| Heavy Atoms | 28 |
| Complexity | 625.0 |
Chemical Identifiers
| CAS Number | 1104-36-5 |
|---|---|
| SMILES | CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)O |
| InChIKey | GPIOGTIFRDHWSB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(5-(Dimethylamino)naphthalene-1-sulfonamido)-3-phenylpropanoic acid (CAS 1104-36-5), with molecular formula C21H22N2O4S and molecular weight 398.13 g/mol. IUPAC: 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-phenylpropanoic acid.
Chemical Property Profile of 2-(5-(Dimethylamino)naphthalene-1-sulfonamido)-3-phenylpropanoic acid
Property Insights of 2-(5-(Dimethylamino)naphthalene-1-sulfonamido)-3-phenylpropanoic acid
The XLogP value of 3.8 indicates that 2-(5-(Dimethylamino)naphthalene-1-sulfonamido)-3-phenylpropanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-(Dimethylamino)naphthalene-1-sulfonamido)-3-phenylpropanoic acid. Following Lipinski's Rule of Five, 2-(5-(Dimethylamino)naphthalene-1-sulfonamido)-3-phenylpropanoic acid has 2 hydrogen bond donor(s) and 6 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-(5-(Dimethylamino)naphthalene-1-sulfonamido)-3-phenylpropanoic acid?
The CAS number of 2-(5-(Dimethylamino)naphthalene-1-sulfonamido)-3-phenylpropanoic acid is 1104-36-5.
What is the molecular formula of 2-(5-(Dimethylamino)naphthalene-1-sulfonamido)-3-phenylpropanoic acid?
The molecular formula of 2-(5-(Dimethylamino)naphthalene-1-sulfonamido)-3-phenylpropanoic acid is C21H22N2O4S.
What is the molecular weight of 2-(5-(Dimethylamino)naphthalene-1-sulfonamido)-3-phenylpropanoic acid?
The molecular weight of 2-(5-(Dimethylamino)naphthalene-1-sulfonamido)-3-phenylpropanoic acid is 398.13 g/mol.
Where can I buy 2-(5-(Dimethylamino)naphthalene-1-sulfonamido)-3-phenylpropanoic acid?
You can request a quote for 2-(5-(Dimethylamino)naphthalene-1-sulfonamido)-3-phenylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-(Dimethylamino)naphthalene-1-sulfonamido)-3-phenylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-(Dimethylamino)naphthalene-1-sulfonamido)-3-phenylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.