CAS RN: 1429179-07-6
IDH-889
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.20250402 | 10mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1429179-07-6
- Purity/Analytical Methods: >99.0%
1429179-07-6 / (4S)-3-[2-[[(1S)-1-[5-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
Basic Information
CAS
1429179-07-6
Multi CAS
No
Molecular Formula
C23H25FN6O2
Molecular Weight
436.500000
Exact Mass
436.202302
SMILES
CC1=C(C=CC(=C1)C2=CN=C(N=C2)[C@H](C)NC3=NC=CC(=N3)N4[C@H](COC4=O)C(C)C)F
InChI
InChI=1S/C23H25FN6O2/c1-13(2)19-12-32-23(31)30(19)20-7-8-25-22(29-20)28-15(4)21-26-10-17(11-27-21)16-5-6-18(24)14(3)9-16/h5-11,13,15,19H,12H2,1-4H3,(H,25,28,29)/t15-,19+/m0/s1
InChIKey
JDCYIMQAIKEACU-HNAYVOBHSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.35
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
1
Molar refractivity
118.69
TPSA
93.13
LogP / Solubility
WLOGP
4.54
MLOGP
4.02
XLogP3
4.1
Consensus LogP
4.22
Log S (ESOL)
-5.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.98
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)
-2.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
Customers Also Viewed
-
Mutant IDH1 inhibitor
- CAS RN: 1429180-08-4
- Product Code: starshine_CAS1429180-08-4
- Purity/Analytical method: >99.0%
-
(S)-3-(2-Chloro-6-methyl-4-pyrimidyl)-4-isopropyl-2-oxazolidinone
- CAS RN: 1429180-99-3
- Product Code: SSC-054199
-
(2S)-2-AMINO-2-(4-PHENYLPHENYL)ETHAN-1-OL
- CAS RN: 1429184-14-4
- Product Code: starshine_CAS1429184-14-4
- Purity/Analytical method: >99.0%
-
2,3-Dihydro-2-(5-methyl-2-thienyl)-3-phenyl-4(1H)-quinazolinone
- CAS RN: 1429192-00-6
- Product Code: starshine_CAS1429192-00-6
- Purity/Analytical method: >99.0%
-
tert-butyl hexahydro-6-oxopyrrolo[1,2-a]pyrazine-2(1H)-carboxylate
- CAS RN: 1429200-16-7
- Product Code: starshine_CAS1429200-16-7
- Purity/Analytical method: >99.0%
-
(7S,8aR)-octahydropyrrolo[1,2-a]piperazin-7-ol
- CAS RN: 1429200-47-4
- Product Code: SSC-054208
.gif)
![CAS 1429200-16-7 tert-butyl hexahydro-6-oxopyrrolo[1,2-a]pyrazine-2(1H)-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1429200-16-7.gif)
![CAS 1429200-47-4 (7S,8aR)-octahydropyrrolo[1,2-a]piperazin-7-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1429200-47-4.gif)