![CAS 1032903-64-2 4-[4-[[5-Chloro-4-[[2-[(propan-2-yl)sulfonyl]phenyl]amino]pyrimidin-2-yl]amino]-5-isopropoxy-2-methylphenyl]piperidine-1-carboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1032903-64-2.gif)
CAS RN: 1032903-64-2
4-[4-[[5-Chloro-4-[[2-[(propan-2-yl)sulfonyl]phenyl]amino]pyrimidin-2-yl]amino]-5-isopropoxy-2-methylphenyl]piperidine-1-carboxylic acid tert-butyl ester
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.20250206 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1032903-64-2
- Purity/Analytical Methods: >99.0%
1032903-64-2 / tert-butyl 4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidine-1-carboxylate
1,1-Dimethylethyl 4-[4-[[5-chloro-4-[[2-[(1-methylethyl)sulfonyl]phenyl]amino]-2-pyrimidinyl]amino]-2-methyl-5-(1-methylethoxy)phenyl]-1-piperidinecarboxylate | 1,1-Dimethylethyl 4-(4-((5-chloro-4-((2-((1-methylethyl)sulfonyl)phenyl)amino)-2-pyrimidinyl)amino)-2-methyl-5-(1-methylethoxy)phenyl)-1-piperidinecarboxylate | RefChem:213909
Basic Information
CAS
1032903-64-2
Multi CAS
No
Molecular Formula
C33H44ClN5O5S
Molecular Weight
658.300000
Exact Mass
657.275168
SMILES
CC1=CC(=C(C=C1C2CCN(CC2)C(=O)OC(C)(C)C)OC(C)C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl
InChI
InChI=1S/C33H44ClN5O5S/c1-20(2)43-28-18-24(23-13-15-39(16-14-23)32(40)44-33(6,7)8)22(5)17-27(28)37-31-35-19-25(34)30(38-31)36-26-11-9-10-12-29(26)45(41,42)21(3)4/h9-12,17-21,23H,13-16H2,1-8H3,(H2,35,36,37,38)
InChIKey
XZEGNDOSDCUVAJ-UHFFFAOYSA-N
Synonyms
1,1-Dimethylethyl 4-[4-[[5-chloro-4-[[2-[(1-methylethyl)sulfonyl]phenyl]amino]-2-pyrimidinyl]amino]-2-methyl-5-(1-methylethoxy)phenyl]-1-piperidinecarboxylate
1,1-Dimethylethyl 4-(4-((5-chloro-4-((2-((1-methylethyl)sulfonyl)phenyl)amino)-2-pyrimidinyl)amino)-2-methyl-5-(1-methylethoxy)phenyl)-1-piperidinecarboxylate
RefChem:213909
4-[4-[[5-Chloro-4-[[2-[(propan-2-yl)sulfonyl]phenyl]amino]pyrimidin-2-yl]amino]-5-isopropoxy-2-methylphenyl]piperidine-1-carboxylic acid tert-butyl ester
tert-butyl 4-(4-((5-chloro-4-((2-(isopropylsulfonyl)phenyl)amino)pyrimidin-2-yl)amino)-5-isopropoxy-2-methylphenyl)piperidine-1-carboxylate
Computed Properties
Structural Parameters
Heavy atom count
45
Aromatic heavy atom count
18
Fraction Csp3
0.48
Rotatable bonds
9
H-bond acceptors
9
H-bond donors
2
Molar refractivity
179.1
TPSA
122.75
LogP / Solubility
WLOGP
8.01
MLOGP
7.1
XLogP3
7.7
Consensus LogP
7.6
Log S (ESOL)
-8.67
Class (ESOL)
Insoluble
Log S (Ali)
-10.74
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.67
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.05
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
4.5
Customers Also Viewed
-
![CAS 1032943-41-1 4-broMo-1-Methyl-1H-pyrazolo[3,4-c]pyridine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
4-broMo-1-Methyl-1H-pyrazolo[3,4-c]pyridine
- CAS RN: 1032943-41-1
- Product Code: SSC-004747
-
-
1-(3-fluorobenzyl)pyrrolidin-3-ol
- CAS RN: 1033012-62-2
- Product Code: starshine_CAS1033012-62-2
- Purity/Analytical method: >99.0%
-
1-[1-(3-Chloro-phenyl)-ethyl]-piperidin-3-ol, 98+% C13H18ClNO, MW: 239.75
- CAS RN: 1033013-42-1
- Product Code: starshine_CAS1033013-42-1
- Purity/Analytical method: >99.0%
-
TPO agonist 1
- CAS RN: 1033040-23-1
- Product Code: starshine_CAS1033040-23-1
- Purity/Analytical method: >99.0%
-
![CAS 1032943-41-1 4-broMo-1-Methyl-1H-pyrazolo[3,4-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1032943-41-1.gif)
![CAS 1032943-43-3 4-BROMO-1H-PYRAZOLO[3,4-C]PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1032943-43-3.gif)
![CAS 1033013-42-1 1-[1-(3-Chloro-phenyl)-ethyl]-piperidin-3-ol, 98+% C13H18ClNO, MW: 239.75 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1033013-42-1.gif)
