CAS RN: 1600515-49-8
Tilfrinib
Product Availability
Choose a grade to view its available package options.
10 package records9 with current stock2 grade groups
- Product code: SSC-068042
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1600515-49-8 / 3-(9H-pyrido[2,3-b]indol-4-ylamino)phenol
Basic Information
CAS
1600515-49-8
Multi CAS
No
Molecular Formula
C17H13N3O
Molecular Weight
275.300000
Exact Mass
275.105862
SMILES
C1=CC=C2C(=C1)C3=C(C=CN=C3N2)NC4=CC(=CC=C4)O
InChI
InChI=1S/C17H13N3O/c21-12-5-3-4-11(10-12)19-15-8-9-18-17-16(15)13-6-1-2-7-14(13)20-17/h1-10,21H,(H2,18,19,20)
InChIKey
RXPZOSHFGJWSLQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
19
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
84.99
TPSA
60.94
LogP / Solubility
WLOGP
4.17
MLOGP
3.67
XLogP3
3.8
Consensus LogP
3.88
Log S (ESOL)
-4.71
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.15
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)
-1.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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