![3'-Methyl-1'-phenyl-1'H-spiro[indole-3,4'-pyrazolo[3',4':4,5]pyrimido[2,1-b][1,3]benzothiazol]-2(1H)-one structure](/static/products/7457/745797-98-2.webp)
3'-Methyl-1'-phenyl-1'H-spiro[indole-3,4'-pyrazolo[3',4':4,5]pyrimido[2,1-b][1,3]benzothiazol]-2(1H)-one
TL;DR: 3'-Methyl-1'-phenyl-1'H-spiro[indole-3,4'-pyrazolo[3',4':4,5]pyrimido[2,1-b][1,3]benzothiazol]-2(1H)-one (CAS 745797-98-2) is a chemical compound with molecular formula C25H17N5OS and molecular weight 435.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14'-methyl-12'-phenylspiro[1H-indole-3,16'-8-thia-1,10,12,13-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),13-hexaene]-2-one
Also Known As: 3'-Methyl-1'-phenyl-1'H-spiro[indole-3,4'-pyrazolo[3',4':4,5]pyrimido[2,1-b][1,3]benzothiazol]-2(1H)-one, 3'-Methyl-1'-phenylspiro[3H-indole-3,4'(1'H)-pyrazolo[3',4':4,5]pyrimido[2,1-b]benzothiazol]-2(1H)-one, 3a(2)-Methyl-1a(2)-phenylspiro[3H-indole-3,4a(2)(1a(2)H)-pyrazolo[3a(2),4a(2):4,5]pyrimido[2,1-b]benzothiazol]-2(1H)-one
| Molecular Formula | C25H17N5OS |
|---|---|
| Molecular Weight | 435.12 g/mol |
| LogP | 4.98982 |
| Topological Polar Surface Area | 62.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 435.1154 |
| Heavy Atoms | 32 |
| Complexity | 1474.9479 |
Chemical Identifiers
| CAS Number | 745797-98-2 |
|---|---|
| SMILES | CC1=NN(C2=C1C3(C4=CC=CC=C4NC3=O)N5C6=CC=CC=C6SC5=N2)C7=CC=CC=C7 |
Product Overview
3'-Methyl-1'-phenyl-1'H-spiro[indole-3,4'-pyrazolo[3',4':4,5]pyrimido[2,1-b][1,3]benzothiazol]-2(1H)-one (CAS 745797-98-2), with molecular formula C25H17N5OS and molecular weight 435.12 g/mol. IUPAC: 14'-methyl-12'-phenylspiro[1H-indole-3,16'-8-thia-1,10,12,13-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),13-hexaene]-2-one.
Chemical Property Profile of 3'-Methyl-1'-phenyl-1'H-spiro[indole-3,4'-pyrazolo[3',4':4,5]pyrimido[2,1-b][1,3]benzothiazol]-2(1H)-one
Property Insights of 3'-Methyl-1'-phenyl-1'H-spiro[indole-3,4'-pyrazolo[3',4':4,5]pyrimido[2,1-b][1,3]benzothiazol]-2(1H)-one
The XLogP value of 4.98982 indicates that 3'-Methyl-1'-phenyl-1'H-spiro[indole-3,4'-pyrazolo[3',4':4,5]pyrimido[2,1-b][1,3]benzothiazol]-2(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-Methyl-1'-phenyl-1'H-spiro[indole-3,4'-pyrazolo[3',4':4,5]pyrimido[2,1-b][1,3]benzothiazol]-2(1H)-one. Following Lipinski's Rule of Five, 3'-Methyl-1'-phenyl-1'H-spiro[indole-3,4'-pyrazolo[3',4':4,5]pyrimido[2,1-b][1,3]benzothiazol]-2(1H)-one has 1 hydrogen bond donor(s) and 5 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 3'-Methyl-1'-phenyl-1'H-spiro[indole-3,4'-pyrazolo[3',4':4,5]pyrimido[2,1-b][1,3]benzothiazol]-2(1H)-one?
The CAS number of 3'-Methyl-1'-phenyl-1'H-spiro[indole-3,4'-pyrazolo[3',4':4,5]pyrimido[2,1-b][1,3]benzothiazol]-2(1H)-one is 745797-98-2.
What is the molecular formula of 3'-Methyl-1'-phenyl-1'H-spiro[indole-3,4'-pyrazolo[3',4':4,5]pyrimido[2,1-b][1,3]benzothiazol]-2(1H)-one?
The molecular formula of 3'-Methyl-1'-phenyl-1'H-spiro[indole-3,4'-pyrazolo[3',4':4,5]pyrimido[2,1-b][1,3]benzothiazol]-2(1H)-one is C25H17N5OS.
What is the molecular weight of 3'-Methyl-1'-phenyl-1'H-spiro[indole-3,4'-pyrazolo[3',4':4,5]pyrimido[2,1-b][1,3]benzothiazol]-2(1H)-one?
The molecular weight of 3'-Methyl-1'-phenyl-1'H-spiro[indole-3,4'-pyrazolo[3',4':4,5]pyrimido[2,1-b][1,3]benzothiazol]-2(1H)-one is 435.12 g/mol.
Where can I buy 3'-Methyl-1'-phenyl-1'H-spiro[indole-3,4'-pyrazolo[3',4':4,5]pyrimido[2,1-b][1,3]benzothiazol]-2(1H)-one?
You can request a quote for 3'-Methyl-1'-phenyl-1'H-spiro[indole-3,4'-pyrazolo[3',4':4,5]pyrimido[2,1-b][1,3]benzothiazol]-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Methyl-1'-phenyl-1'H-spiro[indole-3,4'-pyrazolo[3',4':4,5]pyrimido[2,1-b][1,3]benzothiazol]-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3'-Methyl-1'-phenyl-1'H-spiro[indole-3,4'-pyrazolo[3',4':4,5]pyrimido[2,1-b][1,3]benzothiazol]-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.