CAS RN: 1037792-44-1
MBX2982
Product Availability
Choose a grade to view its available package options.
8 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250508 | 100mg | Out of stock | Inquiry | |
| Batchno.20250812 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20251128 | 250mg | Out of stock | Inquiry | |
| Batchno.20250313 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260426 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20251116 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1037792-44-1
- Purity/Analytical Methods: >99.0%
1037792-44-1 / 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole
MBX-2982 | B5TRY67L51 | 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole
Basic Information
CAS
1037792-44-1
Multi CAS
Yes
Molecular Formula
C22H24N8OS
Molecular Weight
448.500000
Exact Mass
448.179379
SMILES
CCC1=CN=C(N=C1)N2CCC(CC2)C3=NC(=CS3)COC4=CC=C(C=C4)N5C=NN=N5
InChI
InChI=1S/C22H24N8OS/c1-2-16-11-23-22(24-12-16)29-9-7-17(8-10-29)21-26-18(14-32-21)13-31-20-5-3-19(4-6-20)30-15-25-27-28-30/h3-6,11-12,14-15,17H,2,7-10,13H2,1H3
InChIKey
NFTMKHWBOINJGM-UHFFFAOYSA-N
Synonyms
MBX-2982
B5TRY67L51
2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole
DTXSID20146055
Pyrimidine, 5-ethyl-2-(4-(4-((4-(1H-tetrazol-1-yl)phenoxy)methyl)-2-thiazolyl)-1-piperidinyl)-
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
22
Fraction Csp3
0.36
Rotatable bonds
7
H-bond acceptors
10
Molar refractivity
121.2
TPSA
94.74
LogP / Solubility
WLOGP
3.43
MLOGP
3.05
XLogP3
3.6
Consensus LogP
3.36
Log S (ESOL)
-4.83
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.27
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)
-3.02
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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![CAS 1037800-48-8 (1S)-4,4′,6,6′-tetrakis(trifluoromethyl)-[1,1′-Biphenyl]-2,2′-diamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1037800-48-8.gif)
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