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CAS RN: 1029714-88-2
2-fluoro-4-(7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl)benzoicacid
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251029 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1029714-88-2
- Purity/Analytical Methods: >99.0%
1029714-88-2 / 2-fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzoic acid
2-Fluoro-4-[7-[(quinolin-6-yl)methyl]imidazo[1,2-b][1,2,4]triazin-2-yl]benzoic acid | Capmatinib metabolite M13 | PZ22FPE9O7
Basic Information
CAS
1029714-88-2
Multi CAS
No
Molecular Formula
C22H14FN5O2
Molecular Weight
399.400000
Exact Mass
399.113153
SMILES
C1=CC2=C(C=CC(=C2)CC3=CN=C4N3N=C(C=N4)C5=CC(=C(C=C5)C(=O)O)F)N=C1
InChI
InChI=1S/C22H14FN5O2/c23-18-10-15(4-5-17(18)21(29)30)20-12-26-22-25-11-16(28(22)27-20)9-13-3-6-19-14(8-13)2-1-7-24-19/h1-8,10-12H,9H2,(H,29,30)
InChIKey
DQQPUNCZEKUXNJ-UHFFFAOYSA-N
Synonyms
2-Fluoro-4-[7-[(quinolin-6-yl)methyl]imidazo[1,2-b][1,2,4]triazin-2-yl]benzoic acid
Capmatinib metabolite M13
PZ22FPE9O7
CMC583
CMC-583
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
25
Fraction Csp3
0.05
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
107.68
TPSA
93.27
LogP / Solubility
WLOGP
3.77
MLOGP
3.34
XLogP3
3.2
Consensus LogP
3.44
Log S (ESOL)
-5.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.86
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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