CAS RN: 1194044-20-6
LY2811376
Product Availability
Choose a grade to view its available package options.
7 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251228 | 100mg | Out of stock | Inquiry | |
| Batchno.20250223 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260119 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20251204 | 250mg | Out of stock | Inquiry | |
| Batchno.20250613 | 25mg | Out of stock | Inquiry | |
| Batchno.20250429 | 50mg | Out of stock | Inquiry | |
| Batchno.20260113 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1194044-20-6
- Purity/Analytical Methods: >99.0%
1194044-20-6 / (4S)-4-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
LY2811376 | LY-2811376 | UR18YJ97SJ
Basic Information
CAS
1194044-20-6
Multi CAS
Yes
Molecular Formula
C15H14F2N4S
Molecular Weight
320.400000
Exact Mass
320.090724
SMILES
C[C@]1(CCSC(=N1)N)C2=C(C=C(C(=C2)C3=CN=CN=C3)F)F
InChI
InChI=1S/C15H14F2N4S/c1-15(2-3-22-14(18)21-15)11-4-10(12(16)5-13(11)17)9-6-19-8-20-7-9/h4-8H,2-3H2,1H3,(H2,18,21)/t15-/m0/s1
InChIKey
MJQMRGWYPNIERM-HNNXBMFYSA-N
Synonyms
LY2811376
LY-2811376
UR18YJ97SJ
J3.079.793K
4H-1,3-Thiazin-2-amine, 4-[2,4-difluoro-5-(5-pyrimidinyl)phenyl]-5,6-dihydro-4-methyl-, (4S)-
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
83.43
TPSA
64.16
LogP / Solubility
WLOGP
3.09
MLOGP
2.73
XLogP3
2.1
Consensus LogP
2.64
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.55
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
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
Yes
Synthetic Accessibility
3
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