![CAS 1187595-88-5 4-(1-(1-ethoxyethyl)-1H-pyrazol-4-yl)-7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2,3-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1187595-88-5.gif)
CAS RN: 1187595-88-5
4-(1-(1-ethoxyethyl)-1H-pyrazol-4-yl)-7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2,3-d]pyrimidine
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.20260407 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1187595-88-5
- Purity/Analytical Methods: >99.0%
1187595-88-5 / 2-[[4-[1-(1-ethoxyethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
4-(1-(1-ethoxyethyl)-1H-pyrazol-4-yl)-7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2,3-d]pyrimidine | C19H29N5O2Si | 1-(1-ethoxyethyl)-4-(7-{[2-(trimethylsilyl)ethoxy]methyl}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazole
Basic Information
CAS
1187595-88-5
Multi CAS
Yes
Molecular Formula
C19H29N5O2Si
Molecular Weight
387.600000
Exact Mass
387.209052
SMILES
CCOC(C)N1C=C(C=N1)C2=C3C=CN(C3=NC=N2)COCC[Si](C)(C)C
InChI
InChI=1S/C19H29N5O2Si/c1-6-26-15(2)24-12-16(11-22-24)18-17-7-8-23(19(17)21-13-20-18)14-25-9-10-27(3,4)5/h7-8,11-13,15H,6,9-10,14H2,1-5H3
InChIKey
YXEVMRSTXLNHQX-UHFFFAOYSA-N
Synonyms
4-(1-(1-ethoxyethyl)-1H-pyrazol-4-yl)-7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2,3-d]pyrimidine
C19H29N5O2Si
1-(1-ethoxyethyl)-4-(7-{[2-(trimethylsilyl)ethoxy]methyl}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazole
2-[[4-[1-(1-ethoxyethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
4-[1-(1-Ethoxyethyl)-1H-pyrazol-4-yl]-7-[[2-(trimethylsilyl)ethoxy]methyl]-7H-pyrrolo[2,3-d]pyrimidine
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
14
Fraction Csp3
0.53
Rotatable bonds
9
H-bond acceptors
7
Molar refractivity
109.19
TPSA
66.99
LogP / Solubility
WLOGP
4.16
MLOGP
3.69
XLogP3
4.16
Consensus LogP
4
Log S (ESOL)
-4.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.71
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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