C21H21N3O4S.H3N
TL;DR: C21H21N3O4S.H3N (CAS 94266-14-5) is a chemical compound with molecular formula C21H24N4O4S and molecular weight 428.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azanium 4-[4-[3-[4-(dimethylamino)phenyl]prop-2-enylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonate
Also Known As: EINECS 304-419-2, AMMONIUM 4-[4-[3-[4-(DIMETHYLAMINO)PHENYL]-2-PROPENYLIDENE]-4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-1-YL]BENZENESULPHONATE
| Molecular Formula | C21H24N4O4S |
|---|---|
| Molecular Weight | 428.15 g/mol |
| LogP | 3.3952 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 428.15182 |
| Heavy Atoms | 30 |
| Complexity | 781.0 |
Chemical Identifiers
| CAS Number | 94266-14-5 |
|---|---|
| SMILES | CC1=NN(C(=O)C1=CC=CC2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)S(=O)(=O)[O-].[NH4+] |
| InChIKey | IIKXOIFBLJKRKW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
C21H21N3O4S.H3N (CAS 94266-14-5), with molecular formula C21H24N4O4S and molecular weight 428.15 g/mol. IUPAC: azanium 4-[4-[3-[4-(dimethylamino)phenyl]prop-2-enylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonate.
Chemical Property Profile of C21H21N3O4S.H3N
Property Insights of C21H21N3O4S.H3N
The XLogP value of 3.3952 indicates that C21H21N3O4S.H3N 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 C21H21N3O4S.H3N. Following Lipinski's Rule of Five, C21H21N3O4S.H3N has 1 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 C21H21N3O4S.H3N?
The CAS number of C21H21N3O4S.H3N is 94266-14-5.
What is the molecular formula of C21H21N3O4S.H3N?
The molecular formula of C21H21N3O4S.H3N is C21H24N4O4S.
What is the molecular weight of C21H21N3O4S.H3N?
The molecular weight of C21H21N3O4S.H3N is 428.15 g/mol.
Where can I buy C21H21N3O4S.H3N?
You can request a quote for C21H21N3O4S.H3N directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H21N3O4S.H3N?
Yes, KEHONG BIO provides custom synthesis services for C21H21N3O4S.H3N and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.