![CAS 2359650-19-2 17,19-Metheno-1H,5H-cyclopent[5,6][1,4]oxazino[3,4-i]pyrazolo[4,3-f]pyrido[3,2-l][1,4,8,10]oxatriazacyclotridecin-14(11H)-one, 7-fluoro-2,3,3a,12,13,20a-hexahydro-11-methyl-, (3aS,11R,20aR)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2359650-19-2.gif)
CAS RN: 2359650-19-2
17,19-Metheno-1H,5H-cyclopent[5,6][1,4]oxazino[3,4-i]pyrazolo[4,3-f]pyrido[3,2-l][1,4,8,10]oxatriazacyclotridecin-14(11H)-one, 7-fluoro-2,3,3a,12,13,20a-hexahydro-11-methyl-, (3aS,11R,20aR)-
Product Availability
Choose a grade to view its available package options.
4 package records1 with current stock1 grade group
- Product code: starshine_CAS2359650-19-2
- Purity/Analytical Methods: >99.0%
2359650-19-2 / (3R,7S,17R)-12-fluoro-17-methyl-2,16-dioxa-8,14,19,23,24,26-hexazahexacyclo[22.3.1.03,7.08,27.010,15.021,25]octacosa-1(28),10(15),11,13,21(25),22,26-heptaen-20-one
Basic Information
CAS
2359650-19-2
Multi CAS
No
Molecular Formula
C21H21FN6O3
Molecular Weight
424.400000
Exact Mass
424.165917
SMILES
C[C@@H]1CNC(=O)C2=C3N=C4C(=CN3N=C2)O[C@@H]5CCC[C@@H]5N4CC6=C(O1)N=CC(=C6)F
InChI
InChI=1S/C21H21FN6O3/c1-11-6-23-20(29)14-8-25-28-10-17-19(26-18(14)28)27(15-3-2-4-16(15)31-17)9-12-5-13(22)7-24-21(12)30-11/h5,7-8,10-11,15-16H,2-4,6,9H2,1H3,(H,23,29)/t11-,15+,16-/m1/s1
InChIKey
BYYQDEOVMILBQT-XFBWCDHKSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
15
Fraction Csp3
0.43
H-bond acceptors
8
H-bond donors
1
Molar refractivity
107.84
TPSA
93.88
LogP / Solubility
WLOGP
2.09
MLOGP
1.87
XLogP3
1.8
Consensus LogP
1.92
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.16
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
9
Customers Also Viewed
-
![CAS 2359690-82-5 Benzeneethanol, 3-[(1R)-1-aminoethyl]-β,β,2-trifluoro-α,α-dimethyl- molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Benzeneethanol, 3-[(1R)-1-aminoethyl]-β,β,2-trifluoro-α,α-dimethyl-
- CAS RN: 2359690-82-5
- Product Code: SSC-114824
-
Pyrimidine, 4,6-dichloro-5-(1,3-dioxolan-2-yl)-2-methyl-
- CAS RN: 2359690-91-6
- Product Code: SSC-114826
-
-
2,6-Piperidinedione, 3-(4-fluoro-1,3-dihydro-1-oxo-2H-isoindol-2-yl)-
- CAS RN: 2359705-88-5
- Product Code: SSC-114833
-
Acetamide, N-(5-aminopentyl)-2-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]oxy]-
- CAS RN: 2360527-40-6
- Product Code: starshine_CAS2360527-40-6
- Purity/Analytical method: >99.0%
-
![CAS 2359690-82-5 Benzeneethanol, 3-[(1R)-1-aminoethyl]-β,β,2-trifluoro-α,α-dimethyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2359690-82-5.gif)
![CAS 2360527-40-6 Acetamide, N-(5-aminopentyl)-2-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]oxy]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2360527-40-6.gif)
