CAS RN: 1421693-22-2
CDKI-73
Product Availability
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7 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250610 | 1ml | In stock | Inquiry |
- Product code: starshine_CAS1421693-22-2
- Purity/Analytical Methods: >99.0%
1421693-22-2 / 3-[[5-fluoro-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide
Basic Information
CAS
1421693-22-2
Multi CAS
No
Molecular Formula
C15H15FN6O2S2
Molecular Weight
394.500000
Exact Mass
394.068194
SMILES
CC1=C(SC(=N1)NC)C2=NC(=NC=C2F)NC3=CC(=CC=C3)S(=O)(=O)N
InChI
InChI=1S/C15H15FN6O2S2/c1-8-13(25-15(18-2)20-8)12-11(16)7-19-14(22-12)21-9-4-3-5-10(6-9)26(17,23)24/h3-7H,1-2H3,(H,18,20)(H2,17,23,24)(H,19,21,22)
InChIKey
GAIOPWBQKZMUNO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
17
Fraction Csp3
0.13
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
3
Molar refractivity
98.48
TPSA
122.89
LogP / Solubility
WLOGP
2.48
MLOGP
2.21
XLogP3
2.2
Consensus LogP
2.3
Log S (ESOL)
-4
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.88
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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