![4',4',6'-trimethyl-6'-phenyl-5',6'-dihydro-3H,4'H-spiro[1,3-benzothiazole-2,1'-pyrrolo[3,2,1-ij]quinolin]-2'-one structure](/static/products/7745/774561-53-4.webp)
4',4',6'-trimethyl-6'-phenyl-5',6'-dihydro-3H,4'H-spiro[1,3-benzothiazole-2,1'-pyrrolo[3,2,1-ij]quinolin]-2'-one
TL;DR: 4',4',6'-trimethyl-6'-phenyl-5',6'-dihydro-3H,4'H-spiro[1,3-benzothiazole-2,1'-pyrrolo[3,2,1-ij]quinolin]-2'-one (CAS 774561-53-4) is a chemical compound with molecular formula C26H24N2OS and molecular weight 412.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,11,11-trimethyl-9-phenylspiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-3,2'-3H-1,3-benzothiazole]-2-one
Also Known As: 4',4',6'-trimethyl-6'-phenyl-5',6'-dihydro-3H,4'H-spiro[1,3-benzothiazole-2,1'-pyrrolo[3,2,1-ij]quinolin]-2'-one, 4',4',6'-trimethyl-6'-phenyl-5',6'-dihydro-3H-spiro[benzo[d]thiazole-2,1'-pyrrolo[3,2,1-ij]quinolin]-2'(4'H)-one
| Molecular Formula | C26H24N2OS |
|---|---|
| Molecular Weight | 412.16 g/mol |
| LogP | 5.8921 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 412.16095 |
| Heavy Atoms | 30 |
| Complexity | 1177.6653 |
Chemical Identifiers
| CAS Number | 774561-53-4 |
|---|---|
| SMILES | CC1(CC(C2=C3N1C(=O)C4(C3=CC=C2)NC5=CC=CC=C5S4)(C)C6=CC=CC=C6)C |
Product Overview
4',4',6'-trimethyl-6'-phenyl-5',6'-dihydro-3H,4'H-spiro[1,3-benzothiazole-2,1'-pyrrolo[3,2,1-ij]quinolin]-2'-one (CAS 774561-53-4), with molecular formula C26H24N2OS and molecular weight 412.16 g/mol. IUPAC: 9,11,11-trimethyl-9-phenylspiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-3,2'-3H-1,3-benzothiazole]-2-one.
Chemical Property Profile of 4',4',6'-trimethyl-6'-phenyl-5',6'-dihydro-3H,4'H-spiro[1,3-benzothiazole-2,1'-pyrrolo[3,2,1-ij]quinolin]-2'-one
Property Insights of 4',4',6'-trimethyl-6'-phenyl-5',6'-dihydro-3H,4'H-spiro[1,3-benzothiazole-2,1'-pyrrolo[3,2,1-ij]quinolin]-2'-one
The XLogP value of 5.8921 indicates that 4',4',6'-trimethyl-6'-phenyl-5',6'-dihydro-3H,4'H-spiro[1,3-benzothiazole-2,1'-pyrrolo[3,2,1-ij]quinolin]-2'-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.34 Ų, 4',4',6'-trimethyl-6'-phenyl-5',6'-dihydro-3H,4'H-spiro[1,3-benzothiazole-2,1'-pyrrolo[3,2,1-ij]quinolin]-2'-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4',4',6'-trimethyl-6'-phenyl-5',6'-dihydro-3H,4'H-spiro[1,3-benzothiazole-2,1'-pyrrolo[3,2,1-ij]quinolin]-2'-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4',4',6'-trimethyl-6'-phenyl-5',6'-dihydro-3H,4'H-spiro[1,3-benzothiazole-2,1'-pyrrolo[3,2,1-ij]quinolin]-2'-one?
The CAS number of 4',4',6'-trimethyl-6'-phenyl-5',6'-dihydro-3H,4'H-spiro[1,3-benzothiazole-2,1'-pyrrolo[3,2,1-ij]quinolin]-2'-one is 774561-53-4.
What is the molecular formula of 4',4',6'-trimethyl-6'-phenyl-5',6'-dihydro-3H,4'H-spiro[1,3-benzothiazole-2,1'-pyrrolo[3,2,1-ij]quinolin]-2'-one?
The molecular formula of 4',4',6'-trimethyl-6'-phenyl-5',6'-dihydro-3H,4'H-spiro[1,3-benzothiazole-2,1'-pyrrolo[3,2,1-ij]quinolin]-2'-one is C26H24N2OS.
What is the molecular weight of 4',4',6'-trimethyl-6'-phenyl-5',6'-dihydro-3H,4'H-spiro[1,3-benzothiazole-2,1'-pyrrolo[3,2,1-ij]quinolin]-2'-one?
The molecular weight of 4',4',6'-trimethyl-6'-phenyl-5',6'-dihydro-3H,4'H-spiro[1,3-benzothiazole-2,1'-pyrrolo[3,2,1-ij]quinolin]-2'-one is 412.16 g/mol.
Where can I buy 4',4',6'-trimethyl-6'-phenyl-5',6'-dihydro-3H,4'H-spiro[1,3-benzothiazole-2,1'-pyrrolo[3,2,1-ij]quinolin]-2'-one?
You can request a quote for 4',4',6'-trimethyl-6'-phenyl-5',6'-dihydro-3H,4'H-spiro[1,3-benzothiazole-2,1'-pyrrolo[3,2,1-ij]quinolin]-2'-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4',4',6'-trimethyl-6'-phenyl-5',6'-dihydro-3H,4'H-spiro[1,3-benzothiazole-2,1'-pyrrolo[3,2,1-ij]quinolin]-2'-one?
Yes, KEHONG BIO provides custom synthesis services for 4',4',6'-trimethyl-6'-phenyl-5',6'-dihydro-3H,4'H-spiro[1,3-benzothiazole-2,1'-pyrrolo[3,2,1-ij]quinolin]-2'-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.