![CAS 1189987-23-2 5-methyl-N-[2,3,5,6-tetradeuterio-4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1189987-23-2.gif)
CAS RN: 1189987-23-2
5-methyl-N-[2,3,5,6-tetradeuterio-4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260414 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1189987-23-2
- Purity/Analytical Methods: >99.0%
1189987-23-2 / 5-methyl-N-[2,3,5,6-tetradeuterio-4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
leflunomide | Arava | Leflunomida
Basic Information
CAS
1189987-23-2
Multi CAS
Yes
Molecular Formula
C12H9F3N2O2
Molecular Weight
274.230000
Exact Mass
274.086719
SMILES
[2H]C1=C(C(=C(C(=C1C(F)(F)F)[2H])[2H])NC(=O)C2=C(ON=C2)C)[2H]
InChI
InChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18)/i2D,3D,4D,5D
InChIKey
VHOGYURTWQBHIL-QFFDRWTDSA-N
Synonyms
leflunomide
Arava
Leflunomida
Leflunomidum
5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
11
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.64
TPSA
55.13
LogP / Solubility
WLOGP
3.25
MLOGP
2.87
XLogP3
2.5
Consensus LogP
2.87
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.36
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
2-(2,4-DIFLUORO-PHENYL)-PYRROLIDINE HYDROCHLORIDE
- CAS RN: 1189996-39-1
- Product Code: starshine_CAS1189996-39-1
- Purity/Analytical method: >99.0%
-
(3-Methoxy-4-Methylphenyl)MethanaMine HCl
- CAS RN: 1190000-43-1
- Product Code: starshine_CAS1190000-43-1
- Purity/Analytical method: >99.0%
-
Thiabendazole-d4 (benzimidazole-4,5,6,7-d4)
- CAS RN: 1190007-20-5
- Product Code: starshine_CAS1190007-20-5
- Purity/Analytical method: >99.0%
-
Naratriptan-d3 Hydrochloride
- CAS RN: 1190021-64-7
- Product Code: starshine_CAS1190021-64-7
- Purity/Analytical method: >99.0%
-
ADEFOVIR-D4
- CAS RN: 1190021-70-5
- Product Code: starshine_CAS1190021-70-5
- Purity/Analytical method: >99.0%
-
N-BOC-N’-Mesyl ethylenediaMine
- CAS RN: 1190044-23-5
- Product Code: starshine_CAS1190044-23-5
- Purity/Analytical method: >99.0%
