![N-[[5-(Dimethylamino)-1-naphthalenyl]sulfonyl]-beta-alanine structure](/static/products/1093/1093-97-6.webp)
N-[[5-(Dimethylamino)-1-naphthalenyl]sulfonyl]-beta-alanine
TL;DR: N-[[5-(Dimethylamino)-1-naphthalenyl]sulfonyl]-beta-alanine (CAS 1093-97-6) is a chemical compound with molecular formula C15H18N2O4S and molecular weight 322.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propanoic acid
Also Known As: dansyl beta alanin, Dansyl-beta-alanine cyclohexylammonium salt, 3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propanoic acid, 3-[5-(Dimethylamino)-1-naphthylsulfonylamino]propionic acid, N-[[5-(Dimethylamino)-1-naphthyl]sulfonyl]-beta-alanine
| Molecular Formula | C15H18N2O4S |
|---|---|
| Molecular Weight | 322.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 95.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 322.09872 |
| Heavy Atoms | 22 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 1093-97-6 |
|---|---|
| SMILES | CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCC(=O)O |
| InChIKey | XSQICNCOMHYTCX-UHFFFAOYSA-N |
Product Overview
N-[[5-(Dimethylamino)-1-naphthalenyl]sulfonyl]-beta-alanine (CAS 1093-97-6), with molecular formula C15H18N2O4S and molecular weight 322.10 g/mol. IUPAC: 3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propanoic acid.
Chemical Property Profile of N-[[5-(Dimethylamino)-1-naphthalenyl]sulfonyl]-beta-alanine
Property Insights of N-[[5-(Dimethylamino)-1-naphthalenyl]sulfonyl]-beta-alanine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[[5-(Dimethylamino)-1-naphthalenyl]sulfonyl]-beta-alanine. The TPSA of 95.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[5-(Dimethylamino)-1-naphthalenyl]sulfonyl]-beta-alanine. Following Lipinski's Rule of Five, N-[[5-(Dimethylamino)-1-naphthalenyl]sulfonyl]-beta-alanine 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 N-[[5-(Dimethylamino)-1-naphthalenyl]sulfonyl]-beta-alanine?
The CAS number of N-[[5-(Dimethylamino)-1-naphthalenyl]sulfonyl]-beta-alanine is 1093-97-6.
What is the molecular formula of N-[[5-(Dimethylamino)-1-naphthalenyl]sulfonyl]-beta-alanine?
The molecular formula of N-[[5-(Dimethylamino)-1-naphthalenyl]sulfonyl]-beta-alanine is C15H18N2O4S.
What is the molecular weight of N-[[5-(Dimethylamino)-1-naphthalenyl]sulfonyl]-beta-alanine?
The molecular weight of N-[[5-(Dimethylamino)-1-naphthalenyl]sulfonyl]-beta-alanine is 322.10 g/mol.
Where can I buy N-[[5-(Dimethylamino)-1-naphthalenyl]sulfonyl]-beta-alanine?
You can request a quote for N-[[5-(Dimethylamino)-1-naphthalenyl]sulfonyl]-beta-alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[5-(Dimethylamino)-1-naphthalenyl]sulfonyl]-beta-alanine?
Yes, KEHONG BIO provides custom synthesis services for N-[[5-(Dimethylamino)-1-naphthalenyl]sulfonyl]-beta-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.