CAS RN: 2380027-49-4
Src Inhibitor 3
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250830 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2380027-49-4
- Purity/Analytical Methods: >99.0%
2380027-49-4 / N-[3-chloro-4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]phenyl]-1-[1-(3-cyano-3-methylbutanoyl)piperidin-4-yl]-5-fluoroindazole-3-carboxamide
Basic Information
CAS
2380027-49-4
Multi CAS
No
Molecular Formula
C34H32ClFN8O4
Molecular Weight
671.100000
Exact Mass
670.221907
SMILES
CC(C)(CC(=O)N1CCC(CC1)N2C3=C(C=C(C=C3)F)C(=N2)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=C6C=CC(=CN6N=C5)OC)Cl)C#N
InChI
InChI=1S/C34H32ClFN8O4/c1-34(2,19-37)16-30(45)42-12-10-22(11-13-42)44-29-8-4-20(36)14-24(29)31(41-44)33(47)39-21-5-7-27(26(35)15-21)40-32(46)25-17-38-43-18-23(48-3)6-9-28(25)43/h4-9,14-15,17-18,22H,10-13,16H2,1-3H3,(H,39,47)(H,40,46)
InChIKey
LQQYARMJQBHKQQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
48
Aromatic heavy atom count
24
Fraction Csp3
0.29
Rotatable bonds
8
H-bond acceptors
9
H-bond donors
2
Molar refractivity
177.66
TPSA
146.65
LogP / Solubility
WLOGP
6.09
MLOGP
5.42
XLogP3
3.9
Consensus LogP
5.14
Log S (ESOL)
-7.68
Class (ESOL)
Insoluble
Log S (Ali)
-9.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.04
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-2.49
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5
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