RefChem:888802
TL;DR: RefChem:888802 (CAS 58566-08-8) is a chemical compound with molecular formula C26H24N2O2S2 and molecular weight 460.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8'-methoxy-3-methyl-4'-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]spiro[1,3-benzothiazole-2,2'-3,4-dihydrochromene]
Also Known As: Spiro[2H-1-benzopyran-2,2'(3'H)-benzothiazole], 3,4-dihydro-8-methoxy-3'-methyl-4-[(3-methyl-2(3H)-benzothiazolylidene)methyl]-, 3,4-DIHYDRO-8-METHOXY-3'-METHYL-4-[(3-METHYLBENZOTHIAZOL-2(3H)-YLIDENE)METHYL ]SPIRO[2H-1-BENZOPYRAN-2,2'(3'H)-BENZOTHIAZOLE], 8'-methoxy-3-methyl-4'-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]spiro[1,3-benzothiazole-2,2'-3,4-dihydrochromene], 8-Methoxy-3'-methyl-4-[(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-3,4-dihydro-3'H-spiro[[1]benzopyran-2,2'-[1,3]benzothiazole], Spiro(2H-1-benzopyran-2,2'(3'H)-benzothiazole),3,4-dihydro-8-methoxy-3'-methyl-4-((3-methyl-2(3H)-benzothiazolylidene)methyl)
| Molecular Formula | C26H24N2O2S2 |
|---|---|
| Molecular Weight | 460.13 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 75.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 460.12793 |
| Heavy Atoms | 32 |
| Complexity | 735.0 |
Chemical Identifiers
| CAS Number | 58566-08-8 |
|---|---|
| SMILES | CN1C2=CC=CC=C2SC1=CC3CC4(N(C5=CC=CC=C5S4)C)OC6=C3C=CC=C6OC |
| InChIKey | ZBHJDMDVLDATCX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:888802 (CAS 58566-08-8), with molecular formula C26H24N2O2S2 and molecular weight 460.13 g/mol. IUPAC: 8'-methoxy-3-methyl-4'-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]spiro[1,3-benzothiazole-2,2'-3,4-dihydrochromene].
Chemical Property Profile of RefChem:888802
Property Insights of RefChem:888802
The XLogP value of 6.7 indicates that RefChem:888802 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:888802. Following Lipinski's Rule of Five, RefChem:888802 has 0 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 RefChem:888802?
The CAS number of RefChem:888802 is 58566-08-8.
What is the molecular formula of RefChem:888802?
The molecular formula of RefChem:888802 is C26H24N2O2S2.
What is the molecular weight of RefChem:888802?
The molecular weight of RefChem:888802 is 460.13 g/mol.
Where can I buy RefChem:888802?
You can request a quote for RefChem:888802 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:888802?
Yes, KEHONG BIO provides custom synthesis services for RefChem:888802 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.