4-(N-1-Dimethylaminonaphthalene-5-sulfonylamino)phenyl isothiocyanate
TL;DR: 4-(N-1-Dimethylaminonaphthalene-5-sulfonylamino)phenyl isothiocyanate (CAS 102417-94-7) is a chemical compound with molecular formula C19H17N3O2S2 and molecular weight 383.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(dimethylamino)-N-(4-isothiocyanatophenyl)naphthalene-1-sulfonamide
Also Known As: Dansylamino-pitc, Dnsapitc, 4-(N-1-Dimethylaminonaphthalene-5-sulfonylamino)phenyl isothiocyanate, 4-(Dansylamino)phenyl Isothiocyanate, 5-(dimethylamino)-N-(4-isothiocyanatophenyl)naphthalene-1-sulfonamide
| Molecular Formula | C19H17N3O2S2 |
|---|---|
| Molecular Weight | 383.08 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.07623 |
| Heavy Atoms | 26 |
| Complexity | 617.0 |
Chemical Identifiers
| CAS Number | 102417-94-7 |
|---|---|
| SMILES | CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC3=CC=C(C=C3)N=C=S |
| InChIKey | MZGXHCHKGRQLHR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(N-1-Dimethylaminonaphthalene-5-sulfonylamino)phenyl isothiocyanate (CAS 102417-94-7), with molecular formula C19H17N3O2S2 and molecular weight 383.08 g/mol. IUPAC: 5-(dimethylamino)-N-(4-isothiocyanatophenyl)naphthalene-1-sulfonamide.
Chemical Property Profile of 4-(N-1-Dimethylaminonaphthalene-5-sulfonylamino)phenyl isothiocyanate
Property Insights of 4-(N-1-Dimethylaminonaphthalene-5-sulfonylamino)phenyl isothiocyanate
The XLogP value of 5.4 indicates that 4-(N-1-Dimethylaminonaphthalene-5-sulfonylamino)phenyl isothiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(N-1-Dimethylaminonaphthalene-5-sulfonylamino)phenyl isothiocyanate. Following Lipinski's Rule of Five, 4-(N-1-Dimethylaminonaphthalene-5-sulfonylamino)phenyl isothiocyanate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(N-1-Dimethylaminonaphthalene-5-sulfonylamino)phenyl isothiocyanate?
The CAS number of 4-(N-1-Dimethylaminonaphthalene-5-sulfonylamino)phenyl isothiocyanate is 102417-94-7.
What is the molecular formula of 4-(N-1-Dimethylaminonaphthalene-5-sulfonylamino)phenyl isothiocyanate?
The molecular formula of 4-(N-1-Dimethylaminonaphthalene-5-sulfonylamino)phenyl isothiocyanate is C19H17N3O2S2.
What is the molecular weight of 4-(N-1-Dimethylaminonaphthalene-5-sulfonylamino)phenyl isothiocyanate?
The molecular weight of 4-(N-1-Dimethylaminonaphthalene-5-sulfonylamino)phenyl isothiocyanate is 383.08 g/mol.
Where can I buy 4-(N-1-Dimethylaminonaphthalene-5-sulfonylamino)phenyl isothiocyanate?
You can request a quote for 4-(N-1-Dimethylaminonaphthalene-5-sulfonylamino)phenyl isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(N-1-Dimethylaminonaphthalene-5-sulfonylamino)phenyl isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4-(N-1-Dimethylaminonaphthalene-5-sulfonylamino)phenyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.