![CAS 1375065-56-7 7-hydroxy-2-Methyl-5-(trifluoroMethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1375065-56-7.gif)
CAS RN: 1375065-56-7
7-hydroxy-2-Methyl-5-(trifluoroMethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile
- Product code: SSC-047174
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 10g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 10g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1375065-56-7 / 2-methyl-7-oxo-5-(trifluoromethyl)-1,4-dihydropyrrolo[3,2-b]pyridine-6-carbonitrile
Basic Information
CAS
1375065-56-7
Multi CAS
No
Molecular Formula
C10H6F3N3O
Molecular Weight
241.170000
Exact Mass
241.046296
SMILES
CC1=CC2=C(N1)C(=O)C(=C(N2)C(F)(F)F)C#N
InChI
InChI=1S/C10H6F3N3O/c1-4-2-6-7(15-4)8(17)5(3-14)9(16-6)10(11,12)13/h2,15H,1H3,(H,16,17)
InChIKey
YEDLNMWBWQYCJA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
53.37
TPSA
72.44
LogP / Solubility
WLOGP
2.06
MLOGP
1.81
XLogP3
1.9
Consensus LogP
1.92
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.93
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
isopropyl 4-(1-cyanoethyl)piperidine-1-carboxylate
- CAS RN: 1375065-78-3
- Product Code: starshine_CAS1375065-78-3
- Purity/Analytical method: >99.0%
-
5-bromo-2-(trifluoromethyl)benzenesulfonylchloride
- CAS RN: 1375065-87-4
- Product Code: SSC-047175
-
2(1H)-Quinolinone, 6-broMo-8-Methyl-4-(trifluoroMethyl)-
- CAS RN: 1375066-09-3
- Product Code: SSC-047176
-
-
3-Methyl-1,2,4-thiadiazole-5-carbohydrazide
- CAS RN: 1375066-73-1
- Product Code: SSC-047180
-
