CAS RN: 233275-76-8
MK 0343
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
- Product code: starshine_CAS233275-76-8
- Purity/Analytical Methods: >99.0%
233275-76-8 / 7-cyclobutyl-3-(2,6-difluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine
Basic Information
CAS
233275-76-8
Multi CAS
No
Molecular Formula
C19H17F2N7O
Molecular Weight
397.400000
Exact Mass
397.146265
SMILES
CN1C(=NC=N1)COC2=NN3C(=NN=C3C4=C(C=CC=C4F)F)C=C2C5CCC5
InChI
InChI=1S/C19H17F2N7O/c1-27-16(22-10-23-27)9-29-19-12(11-4-2-5-11)8-15-24-25-18(28(15)26-19)17-13(20)6-3-7-14(17)21/h3,6-8,10-11H,2,4-5,9H2,1H3
InChIKey
GOIFCXRIFSYPFG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
20
Fraction Csp3
0.32
Rotatable bonds
5
H-bond acceptors
8
Molar refractivity
98.06
TPSA
83.02
LogP / Solubility
WLOGP
3.04
MLOGP
2.7
XLogP3
3
Consensus LogP
2.91
Log S (ESOL)
-4.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.37
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
-
2H-Pyran-4-carboxylicacid,tetrahydro-4-methyl-(9CI)
- CAS RN: 233276-38-5
- Product Code: SSC-113052
-
-
5,6,7,8-Tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine
- CAS RN: 233278-56-3
- Product Code: SSC-113054
-
Glycoborinine
- CAS RN: 233279-39-5
- Product Code: starshine_CAS233279-39-5
- Purity/Analytical method: >99.0%
-
TINUVIN 571
- CAS RN: 23328-53-2
- Product Code: starshine_CAS23328-53-2
- Purity/Analytical method: >99.0%
![CAS 233278-56-3 5,6,7,8-Tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/233278-56-3.gif)
