CAS RN: 845272-21-1
ARRY-334543
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8 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
| Batchno.20251004 |
1mg / 5mg / 25mg |
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| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
| Batchno.20251129 |
100mg |
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| Batchno.20251222 |
10mg |
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| Batchno.20260205 |
250mg |
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| Batchno.20251026 |
25mg |
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| Batchno.20251129 |
2mg |
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| Batchno.20250125 |
50mg |
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| Batchno.20250918 |
5mg |
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Product code:
starshine_CAS845272-21-1
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Purity/Analytical Methods:
>99.0%
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845272-21-1 / 4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)quinazoline-4,6-diamine
Standard CAS: 845272-21-1
Multi CAS: Yes
Basic Information
CAS
845272-21-1
Multi CAS
Yes
Molecular Formula
C22H19CLN6O2S
Molecular Weight
466.900000
Exact Mass
466.097873
InChI
InChI=1S/C22H19ClN6O2S/c1-13-10-31-22(27-13)29-14-2-4-18-16(8-14)21(26-12-25-18)28-15-3-5-19(17(23)9-15)30-11-20-24-6-7-32-20/h2-9,12-13H,10-11H2,1H3,(H,27,29)(H,25,26,28)/t13-/m1/s1
InChIKey
UWXSAYUXVSFDBQ-CYBMUJFWSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
21
Fraction Csp3
0.18
Rotatable bonds
6
H-bond acceptors
9
H-bond donors
2
Molar refractivity
127.19
TPSA
93.55
LogP / Solubility
WLOGP
5.25
MLOGP
4.65
XLogP3
4.2
Consensus LogP
4.7
Log S (ESOL)
-6.13
Class (ESOL)
Insoluble
Log S (Ali)
-7.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.77
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-1.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4