CAS RN: 1429180-08-4
Mutant IDH1 inhibitor
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.20251106 | 2mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1429180-08-4
- Purity/Analytical Methods: >99.0%
1429180-08-4 / (4S)-3-[2-[[(1S)-1-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
Basic Information
CAS
1429180-08-4
Multi CAS
No
Molecular Formula
C25H34N6O3
Molecular Weight
466.600000
Exact Mass
466.269239
SMILES
C[C@@H](C1=CC=C(C=C1)CN2CCN(CC2)C(=O)C)NC3=NC=CC(=N3)N4[C@H](COC4=O)C(C)C
InChI
InChI=1S/C25H34N6O3/c1-17(2)22-16-34-25(33)31(22)23-9-10-26-24(28-23)27-18(3)21-7-5-20(6-8-21)15-29-11-13-30(14-12-29)19(4)32/h5-10,17-18,22H,11-16H2,1-4H3,(H,26,27,28)/t18-,22+/m0/s1
InChIKey
BEWLUEOYYPKPQL-PGRDOPGGSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
12
Fraction Csp3
0.52
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
1
Molar refractivity
130.5
TPSA
90.9
LogP / Solubility
WLOGP
3.3
MLOGP
2.93
XLogP3
2.8
Consensus LogP
3.01
Log S (ESOL)
-4.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.76
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)
-3.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
Customers Also Viewed
-
(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
-
ethyl 1,2-dihydro-3-methoxy-2-oxopyridine-4-carboxylate
- CAS RN: 1429217-39-9
- Product Code: starshine_CAS1429217-39-9
- Purity/Analytical method: >99.0%
.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)
