![4',4',6'-trimethyl-5',6'-dihydro-3H,4'H-spiro[1,3-benzothiazole-2,1'-pyrrolo[3,2,1-ij]quinolin]-2'-one structure](/static/products/7745/774561-52-3.webp)
4',4',6'-trimethyl-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-5',6'-dihydro-3H,4'H-spiro[1,3-benzothiazole-2,1'-pyrrolo[3,2,1-ij]quinolin]-2'-one (CAS 774561-52-3) is a chemical compound with molecular formula C20H20N2OS and molecular weight 336.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,11,11-trimethylspiro[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-5',6'-dihydro-3H,4'H-spiro[1,3-benzothiazole-2,1'-pyrrolo[3,2,1-ij]quinolin]-2'-one, BRD-A02198599-001-06-1, BRD-A02198599-001-08-7, 9,11,11-Trimethylspiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-3,2'-3H-1,3-benzothiazole]-2-one, 4',4',6'-trimethyl-5',6'-dihydro-3H-spiro[benzo[d]thiazole-2,1'-pyrrolo[3,2,1-ij]quinolin]-2'(4'H)-one
| Molecular Formula | C20H20N2OS |
|---|---|
| Molecular Weight | 336.13 g/mol |
| LogP | 4.6896 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 336.12964 |
| Heavy Atoms | 24 |
| Complexity | 863.95764 |
Chemical Identifiers
| CAS Number | 774561-52-3 |
|---|---|
| SMILES | CC1CC(N2C3=C1C=CC=C3C4(C2=O)NC5=CC=CC=C5S4)(C)C |
Product Overview
4',4',6'-trimethyl-5',6'-dihydro-3H,4'H-spiro[1,3-benzothiazole-2,1'-pyrrolo[3,2,1-ij]quinolin]-2'-one (CAS 774561-52-3), with molecular formula C20H20N2OS and molecular weight 336.13 g/mol. IUPAC: 9,11,11-trimethylspiro[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-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-5',6'-dihydro-3H,4'H-spiro[1,3-benzothiazole-2,1'-pyrrolo[3,2,1-ij]quinolin]-2'-one
The XLogP value of 4.6896 indicates that 4',4',6'-trimethyl-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-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-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), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4',4',6'-trimethyl-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-5',6'-dihydro-3H,4'H-spiro[1,3-benzothiazole-2,1'-pyrrolo[3,2,1-ij]quinolin]-2'-one is 774561-52-3.
What is the molecular formula of 4',4',6'-trimethyl-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-5',6'-dihydro-3H,4'H-spiro[1,3-benzothiazole-2,1'-pyrrolo[3,2,1-ij]quinolin]-2'-one is C20H20N2OS.
What is the molecular weight of 4',4',6'-trimethyl-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-5',6'-dihydro-3H,4'H-spiro[1,3-benzothiazole-2,1'-pyrrolo[3,2,1-ij]quinolin]-2'-one is 336.13 g/mol.
Where can I buy 4',4',6'-trimethyl-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-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-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-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.