CAS RN: 1392429-79-6
BI 882370
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260418 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1392429-79-6
- Purity/Analytical Methods: >99.0%
1392429-79-6 / N-[3-[5-[(1-ethylpiperidin-4-yl)-methylamino]-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-1-yl]-2,4-difluorophenyl]propane-1-sulfonamide
Basic Information
CAS
1392429-79-6
Multi CAS
No
Molecular Formula
C28H33F2N7O2S
Molecular Weight
569.700000
Exact Mass
569.238451
SMILES
CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)N2C=C(C3=C2C=CC(=N3)N(C)C4CCN(CC4)CC)C5=CN=CN=C5)F
InChI
InChI=1S/C28H33F2N7O2S/c1-4-14-40(38,39)34-23-7-6-22(29)28(26(23)30)37-17-21(19-15-31-18-32-16-19)27-24(37)8-9-25(33-27)35(3)20-10-12-36(5-2)13-11-20/h6-9,15-18,20,34H,4-5,10-14H2,1-3H3
InChIKey
AEJACXAFHXBVHF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
21
Fraction Csp3
0.39
Rotatable bonds
9
H-bond acceptors
8
H-bond donors
1
Molar refractivity
153.25
TPSA
96.25
LogP / Solubility
WLOGP
4.83
MLOGP
4.3
XLogP3
4.1
Consensus LogP
4.41
Log S (ESOL)
-6.21
Class (ESOL)
Insoluble
Log S (Ali)
-7.72
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.45
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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