![2,3,7,7-tetramethyl-9-[4-(pentyloxy)phenyl]-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione structure](/static/products/6505/650592-90-8.webp)
2,3,7,7-tetramethyl-9-[4-(pentyloxy)phenyl]-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione
TL;DR: 2,3,7,7-tetramethyl-9-[4-(pentyloxy)phenyl]-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione (CAS 650592-90-8) is a chemical compound with molecular formula C27H28N2O3S2 and molecular weight 492.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,7,12,13-tetramethyl-4-(4-pentoxyphenyl)-3-sulfanylidene-5-thia-4,8-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11,13-tetraene-9,10-dione
Also Known As: 2,3,7,7-tetramethyl-9-[4-(pentyloxy)phenyl]-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione, 2,3,7,7-tetramethyl-9-[4-(pentyloxy)phenyl]-10-thioxo-9,10-dihydro-7H-pyrrolo[3,2,1-ij][1,2]thiazolo[5,4-c]quinoline-4,5-dione, 2,3,7,7-tetramethyl-9-(4-(pentyloxy)phenyl)-10-thioxo-9,10-dihydro-4H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5(7H)-dione
| Molecular Formula | C27H28N2O3S2 |
|---|---|
| Molecular Weight | 492.15 g/mol |
| LogP | 6.89913 |
| Topological Polar Surface Area | 51.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 492.15414 |
| Heavy Atoms | 34 |
| Complexity | 1396.7089 |
Chemical Identifiers
| CAS Number | 650592-90-8 |
|---|---|
| SMILES | CCCCCOC1=CC=C(C=C1)N2C(=S)C3=C(S2)C(N4C5=C3C=C(C(=C5C(=O)C4=O)C)C)(C)C |
Product Overview
2,3,7,7-tetramethyl-9-[4-(pentyloxy)phenyl]-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione (CAS 650592-90-8), with molecular formula C27H28N2O3S2 and molecular weight 492.15 g/mol. IUPAC: 7,7,12,13-tetramethyl-4-(4-pentoxyphenyl)-3-sulfanylidene-5-thia-4,8-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11,13-tetraene-9,10-dione.
Chemical Property Profile of 2,3,7,7-tetramethyl-9-[4-(pentyloxy)phenyl]-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione
Property Insights of 2,3,7,7-tetramethyl-9-[4-(pentyloxy)phenyl]-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione
The XLogP value of 6.89913 indicates that 2,3,7,7-tetramethyl-9-[4-(pentyloxy)phenyl]-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.54 Ų, 2,3,7,7-tetramethyl-9-[4-(pentyloxy)phenyl]-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,7,7-tetramethyl-9-[4-(pentyloxy)phenyl]-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,3,7,7-tetramethyl-9-[4-(pentyloxy)phenyl]-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione?
The CAS number of 2,3,7,7-tetramethyl-9-[4-(pentyloxy)phenyl]-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione is 650592-90-8.
What is the molecular formula of 2,3,7,7-tetramethyl-9-[4-(pentyloxy)phenyl]-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione?
The molecular formula of 2,3,7,7-tetramethyl-9-[4-(pentyloxy)phenyl]-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione is C27H28N2O3S2.
What is the molecular weight of 2,3,7,7-tetramethyl-9-[4-(pentyloxy)phenyl]-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione?
The molecular weight of 2,3,7,7-tetramethyl-9-[4-(pentyloxy)phenyl]-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione is 492.15 g/mol.
Where can I buy 2,3,7,7-tetramethyl-9-[4-(pentyloxy)phenyl]-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione?
You can request a quote for 2,3,7,7-tetramethyl-9-[4-(pentyloxy)phenyl]-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,7,7-tetramethyl-9-[4-(pentyloxy)phenyl]-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 2,3,7,7-tetramethyl-9-[4-(pentyloxy)phenyl]-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.