CAS RN: 1094042-01-9
2-(4-(5-(3,4-Diethoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-ylamino)ethanolhydrochloride
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251223 | 1mg / 5mg / 25mg / 100mg | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS1094042-01-9
- Purity/Analytical Methods: >99.0%
1094042-01-9 / 2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol
CYM5442 | CYM-5442 | RefChem:130105
Basic Information
CAS
1094042-01-9
Multi CAS
Yes
Molecular Formula
C23H27N3O4
Molecular Weight
409.500000
Exact Mass
409.200156
SMILES
CCOC1=C(C=C(C=C1)C2=NC(=NO2)C3=C4CCC(C4=CC=C3)NCCO)OCC
InChI
InChI=1S/C23H27N3O4/c1-3-28-20-11-8-15(14-21(20)29-4-2)23-25-22(26-30-23)18-7-5-6-17-16(18)9-10-19(17)24-12-13-27/h5-8,11,14,19,24,27H,3-4,9-10,12-13H2,1-2H3
InChIKey
NUIKTBLZSPQGCP-UHFFFAOYSA-N
Synonyms
CYM5442
CYM-5442
RefChem:130105
CYM 5442
2-({4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl}amino)ethan-1-ol
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
17
Fraction Csp3
0.39
Rotatable bonds
9
H-bond acceptors
7
H-bond donors
2
Molar refractivity
113.66
TPSA
89.64
LogP / Solubility
WLOGP
3.77
MLOGP
3.34
XLogP3
3.2
Consensus LogP
3.44
Log S (ESOL)
-4.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.53
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)
-2.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
I-OME-AG 538
- CAS RN: 1094048-77-7
- Product Code: starshine_CAS1094048-77-7
- Purity/Analytical method: >99.0%
-
SCH1473759 (HCl salt)
- CAS RN: 1094067-13-6
- Product Code: starshine_CAS1094067-13-6
- Purity/Analytical method: >99.0%
-
1-Propanol, 2-[ethyl[[5-[[6-Methyl-3-(1H-pyrazol-4-yl)iMidazo[1,2-a]pyrazin-8-yl]aMino]-3-isothiazolyl]Methyl]aMino]-2-Methyl-
- CAS RN: 1094069-99-4
- Product Code: starshine_CAS1094069-99-4
- Purity/Analytical method: >99.0%
-
6-Methyl-8-methylsulfanyl-imidazo[1,2-a]pyrazine
- CAS RN: 1094070-46-8
- Product Code: SSC-010697
-
Methyl 5-aMinoisothiazole-3-carboxylate
- CAS RN: 1094070-51-5
- Product Code: starshine_CAS1094070-51-5
- Purity/Analytical method: >99.0%
-
![CAS 1094069-99-4 1-Propanol, 2-[ethyl[[5-[[6-Methyl-3-(1H-pyrazol-4-yl)iMidazo[1,2-a]pyrazin-8-yl]aMino]-3-isothiazolyl]Methyl]aMino]-2-Methyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1094069-99-4.gif)
![CAS 1094070-46-8 6-Methyl-8-methylsulfanyl-imidazo[1,2-a]pyrazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1094070-46-8.gif)
