![CAS 58721-74-7 1,2,3,3,8-Pentamethyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[3,2-g]quinolin-7(8H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/p2441-jpgcontextbwfzdgvyfhjvb3r8mzgxmdv8aw1hz2uvanblz3xonjavagjmlzg5mzixmzuxnde0mdyvudi0ndeuanbnfgzhngziyjayzthhmmfhmzq1mtg3yjnjyzexy2q2nte3mdk3owe1ytu4nzqyyzy4nzrkm2vlytu4yjy4yza4yzu.jpeg)
CAS RN: 58721-74-7
1,2,3,3,8-Pentamethyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[3,2-g]quinolin-7(8H)-one
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250723 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: ICTP2441
- Purity/Analytical Methods: >98.0%(T)(HPLC)
58721-74-7 / 1,2,3,3,8-pentamethyl-5-(trifluoromethyl)-2H-pyrrolo[3,2-g]quinolin-7-one
Basic Information
CAS
58721-74-7
Multi CAS
Yes
Molecular Formula
C17F3H19N2O
Molecular Weight
324.340000
Exact Mass
324.144948
InChI
InChI=1S/C17H19F3N2O/c1-9-16(2,3)12-6-10-11(17(18,19)20)7-15(23)22(5)13(10)8-14(12)21(9)4/h6-9H,1-5H3
InChIKey
IOUKYANHUBKAIN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
10
Fraction Csp3
0.47
H-bond acceptors
3
Molar refractivity
85.08
TPSA
25.24
LogP / Solubility
WLOGP
3.67
MLOGP
3.25
XLogP3
3.4
Consensus LogP
3.44
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.82
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
(E)-1,2-Bis(1-naphthyl)-1,2-bis(1,1,3,3,5,5,7,7-octaethyl-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)disilene
- CAS RN: 1620487-87-7
- Product Code: ICTB4421
- Purity/Analytical method: >70.0%(HPLC)
-
(E)-1,2-Bis(2-naphthyl)-1,2-bis(1,1,3,3,5,5,7,7-octaethyl-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)disilene
- CAS RN: 1253900-41-2
- Product Code: ICTB4422
- Purity/Analytical method: >97.0%(HPLC)
-
-
Oxazine 4 Perchlorate
- CAS RN: 41830-81-3
- Product Code: ICTO0479
- Purity/Analytical method: >98.0%(HPLC)(N)
-
N,N,N’,N’-Tetrakis[4-(dibutylamino)phenyl]-1,4-phenylenediamine
- CAS RN: 4182-80-3
- Product Code: SSC-150171
-
![CAS 4182-80-3 N,N,N’,N’-Tetrakis[4-(dibutylamino)phenyl]-1,4-phenylenediamine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t3876-jpgcontextbwfzdgvyfhjvb3r8nda4otr8aw1hz2uvanblz3xoywyvadfhlzg5mzi3mjy4mda0mtqvvdm4nzyuanbnfgi1ngq5yju2ogu0odmxyjgyndvkmdu3odyzyjkzmge4yta5zgiyzdlhyjc2ztvmmmziywjjmtrhmmq0yjnhyjm.jpeg)
