![CAS 1949-20-8 5-[2-(DIETHYLAMINO)ETHYL]-3-PHENYL-1,2,4-OXADIAZOLE CITRATE SALT molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1949-20-8.gif)
CAS RN: 1949-20-8
5-[2-(DIETHYLAMINO)ETHYL]-3-PHENYL-1,2,4-OXADIAZOLE CITRATE SALT
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250218 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1949-20-8
- Purity/Analytical Methods: >99.0%
1949-20-8 / N,N-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
Basic Information
CAS
1949-20-8
Multi CAS
No
Molecular Formula
C20H27N3O8
Molecular Weight
437.400000
Exact Mass
437.179815
SMILES
CCN(CC)CCC1=NC(=NO1)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
InChI
InChI=1S/C14H19N3O.C6H8O7/c1-3-17(4-2)11-10-13-15-14(16-18-13)12-8-6-5-7-9-12;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-9H,3-4,10-11H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKey
RBZIGQJSMCOHSS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
11
Fraction Csp3
0.45
Rotatable bonds
11
H-bond acceptors
8
H-bond donors
4
Molar refractivity
108.32
TPSA
174.29
LogP / Solubility
WLOGP
1.37
MLOGP
1.24
XLogP3
1.37
Consensus LogP
1.33
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.96
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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L-ALTROSE
- CAS RN: 1949-88-8
- Product Code: starshine_CAS1949-88-8
- Purity/Analytical method: >99.0%
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