CAS RN: 1432436-13-9
VU0453595
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
- Product code: starshine_CAS1432436-13-9
- Purity/Analytical Methods: >99.0%
1432436-13-9 / 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
Basic Information
CAS
1432436-13-9
Multi CAS
No
Molecular Formula
C18H15FN4O
Molecular Weight
322.300000
Exact Mass
322.122989
SMILES
CN1C=C(C=N1)C2=CC(=C(C=C2)CN3CC4=C(C3=O)C=CC=N4)F
InChI
InChI=1S/C18H15FN4O/c1-22-9-14(8-21-22)12-4-5-13(16(19)7-12)10-23-11-17-15(18(23)24)3-2-6-20-17/h2-9H,10-11H2,1H3
InChIKey
LIZQOZALTSDKFU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
17
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
86.42
TPSA
51.02
LogP / Solubility
WLOGP
2.78
MLOGP
2.46
XLogP3
1.5
Consensus LogP
2.25
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.42
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)
-2.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
Customers Also Viewed
-
2-(2-cyclopropylethynyl)-4,4,5,5-tetramethyl -1,3,2-dioxaborolane
- CAS RN: 1432491-43-4
- Product Code: SSC-054599
-
-
ML334
- CAS RN: 1432500-66-7
- Product Code: starshine_CAS1432500-66-7
- Purity/Analytical method: >99.0%
-
N-(2,4-dimethoxybenzyl)-2-oxo-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydrobenzo[d]oxazole-6-sulfonamide
- CAS RN: 1432514-50-5
- Product Code: starshine_CAS1432514-50-5
- Purity/Analytical method: >99.0%
-
5-ISOQUINOLINECARBOXYLIC ACID, 3-CHLORO-, METHYL ESTER
- CAS RN: 1432514-90-3
- Product Code: SSC-054613
-
LDN212854
- CAS RN: 1432597-26-6
- Product Code: starshine_CAS1432597-26-6
- Purity/Analytical method: >99.0%
![CAS 1432492-63-1 [3-(3-chlorophenyl)oxetan-3-yl]methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1432492-63-1.gif)
![CAS 1432514-50-5 N-(2,4-dimethoxybenzyl)-2-oxo-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydrobenzo[d]oxazole-6-sulfonamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1432514-50-5.gif)
