RefChem:287793
TL;DR: RefChem:287793 (CAS 29637-18-1) is a chemical compound with molecular formula C26H23N3O4S2 and molecular weight 505.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[1-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)propan-2-ylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonic acid
Also Known As: Benzenesulfonic acid, 4-[4-[2-(1-ethylnaphtho[1,2-d]thiazol-2(3H)-ylidene)-1-methylethylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, 4-(4-(2-(1-Ethylnaphtho(1,2-d)thiazol-2(1H)-ylidene)-1-methylethylidene)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulfonic acid, 4-[4-[2-(1-Ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-1-methylethylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid, 4-[4-[2-(1-ethylnaphtho[1,2-d]thiazol-2(3H)-ylidene)-1-methylethylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid, 4-{4-[1-(1-Ethylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene)propan-2-ylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzene-1-sulfonic acid
| Molecular Formula | C26H23N3O4S2 |
|---|---|
| Molecular Weight | 505.11 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 505.113 |
| Heavy Atoms | 35 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 29637-18-1 |
|---|---|
| SMILES | CCN1C(=CC(=C2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C)C)SC4=C1C5=CC=CC=C5C=C4 |
| InChIKey | VFUBECKRASDZKT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:287793 (CAS 29637-18-1), with molecular formula C26H23N3O4S2 and molecular weight 505.11 g/mol. IUPAC: 4-[4-[1-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)propan-2-ylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonic acid.
Chemical Property Profile of RefChem:287793
Property Insights of RefChem:287793
The XLogP value of 5.2 indicates that RefChem:287793 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:287793. Following Lipinski's Rule of Five, RefChem:287793 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:287793?
The CAS number of RefChem:287793 is 29637-18-1.
What is the molecular formula of RefChem:287793?
The molecular formula of RefChem:287793 is C26H23N3O4S2.
What is the molecular weight of RefChem:287793?
The molecular weight of RefChem:287793 is 505.11 g/mol.
Where can I buy RefChem:287793?
You can request a quote for RefChem:287793 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:287793?
Yes, KEHONG BIO provides custom synthesis services for RefChem:287793 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.