CAS RN: 1174161-69-3
BMS817378
Product Availability
Choose a grade to view its available package options.
8 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250701 | 10mg / 25mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250418 | 100mg | Out of stock | Inquiry | ||
| Batchno.20260119 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260420 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250621 | 250mg | Out of stock | Inquiry | ||
| Batchno.20251127 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20260602 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250406 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1174161-69-3
- Purity/Analytical Methods: >99.0%
1174161-69-3 / [3-[[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-5-(4-fluorophenyl)-4-oxo-1-pyridinyl]methyl dihydrogen phosphate
BMS-817378 | BMS817378 | (3-((4-((2-Amino-3-chloropyridin-4-yl)oxy)-3-fluorophenyl)carbamoyl)-5-(4-fluorophenyl)-4-oxopyridin-1(4H)-yl)methyl dihydrogen phosphate
Basic Information
CAS
1174161-69-3
Multi CAS
Yes
Molecular Formula
C24H18ClF2N4O7P
Molecular Weight
578.800000
Exact Mass
578.056970
SMILES
C1=CC(=CC=C1C2=CN(C=C(C2=O)C(=O)NC3=CC(=C(C=C3)OC4=C(C(=NC=C4)N)Cl)F)COP(=O)(O)O)F
InChI
InChI=1S/C24H18ClF2N4O7P/c25-21-20(7-8-29-23(21)28)38-19-6-5-15(9-18(19)27)30-24(33)17-11-31(12-37-39(34,35)36)10-16(22(17)32)13-1-3-14(26)4-2-13/h1-11H,12H2,(H2,28,29)(H,30,33)(H2,34,35,36)
InChIKey
KXDZWUPUSDCGDD-UHFFFAOYSA-N
Synonyms
BMS-817378
BMS817378
(3-((4-((2-Amino-3-chloropyridin-4-yl)oxy)-3-fluorophenyl)carbamoyl)-5-(4-fluorophenyl)-4-oxopyridin-1(4H)-yl)methyl dihydrogen phosphate
MFCD28502061
[3-[[4-(2-amino-3-chloropyridin-4-yl)oxy-3-fluorophenyl]carbamoyl]-5-(4-fluorophenyl)-4-oxopyridin-1-yl]methyl dihydrogen phosphate
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
24
Fraction Csp3
0.04
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
4
Molar refractivity
137.31
TPSA
166
LogP / Solubility
WLOGP
4.54
MLOGP
4.04
XLogP3
2.2
Consensus LogP
3.59
Log S (ESOL)
-6.21
Class (ESOL)
Insoluble
Log S (Ali)
-7.58
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.15
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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