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CAS RN: 1397255-09-2
SJA710-6
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
- Product code: SSC-050301
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 | Shanghai | Inquiry |
1397255-09-2 / 2-(4-bromophenyl)-N-[(4-fluorophenyl)methyl]-3-propylimidazo[4,5-b]pyridin-5-amine
Basic Information
CAS
1397255-09-2
Multi CAS
No
Molecular Formula
C22H20BrFN4
Molecular Weight
439.300000
Exact Mass
438.085540
SMILES
CCCN1C2=C(C=CC(=N2)NCC3=CC=C(C=C3)F)N=C1C4=CC=C(C=C4)Br
InChI
InChI=1S/C22H20BrFN4/c1-2-13-28-21(16-5-7-17(23)8-6-16)26-19-11-12-20(27-22(19)28)25-14-15-3-9-18(24)10-4-15/h3-12H,2,13-14H2,1H3,(H,25,27)
InChIKey
RPNQWWSSADJSGS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
21
Fraction Csp3
0.18
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
114.68
TPSA
42.74
LogP / Solubility
WLOGP
6.02
MLOGP
5.33
XLogP3
5.8
Consensus LogP
5.72
Log S (ESOL)
-6.52
Class (ESOL)
Insoluble
Log S (Ali)
-7.51
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.23
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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