CAS RN: 457081-03-7
JAK INHIBITOR I
Product Availability
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9 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260325 | 1mg / 2mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251014 | 100mg | Out of stock | Inquiry | ||
| Batchno.20260510 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260102 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20260428 | 250mg | Out of stock | Inquiry | ||
| Batchno.20250325 | 25mg | Out of stock | Inquiry | ||
| Batchno.20251128 | 2mg | In stock | Shanghai | Inquiry | |
| Batchno.20250816 | 50mg | Out of stock | Inquiry | ||
| Batchno.20250205 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS457081-03-7
- Purity/Analytical Methods: >99.0%
457081-03-7 / 4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one
Basic Information
CAS
457081-03-7
Multi CAS
Yes
Molecular Formula
C18FH16N3O
Molecular Weight
309.300000
Exact Mass
309.127740
InChI
InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
InChIKey
VNDWQCSOSCCWIP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
17
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
90.38
TPSA
61.54
LogP / Solubility
WLOGP
3.99
MLOGP
3.53
XLogP3
4
Consensus LogP
3.84
Log S (ESOL)
-4.82
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.99
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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