![CAS 1142945-83-2 7H-Pyrrolo[2,3-d]pyriMidin-2-aMine, 4-chloro-N-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1142945-83-2.gif)
CAS RN: 1142945-83-2
7H-Pyrrolo[2,3-d]pyriMidin-2-aMine, 4-chloro-N-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-
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.20250822 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1142945-83-2
- Purity/Analytical Methods: >99.0%
1142945-83-2 / 4-chloro-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
4-chloro-N-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine | 4-chloro-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine | 4-Chloro-N-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-7H-pyrrolo[2,3-d]pyrimidin-2-amine
Basic Information
CAS
1142945-83-2
Multi CAS
No
Molecular Formula
C18H20ClN5O
Molecular Weight
357.800000
Exact Mass
357.135638
SMILES
C1CCN(C1)CCOC2=CC=C(C=C2)NC3=NC4=C(C=CN4)C(=N3)Cl
InChI
InChI=1S/C18H20ClN5O/c19-16-15-7-8-20-17(15)23-18(22-16)21-13-3-5-14(6-4-13)25-12-11-24-9-1-2-10-24/h3-8H,1-2,9-12H2,(H2,20,21,22,23)
InChIKey
VOHRPUFDGZZNJY-UHFFFAOYSA-N
Synonyms
4-chloro-N-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
4-chloro-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
4-Chloro-N-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SCHEMBL13883682
DTXSID20701229
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
15
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
99.79
TPSA
66.07
LogP / Solubility
WLOGP
3.83
MLOGP
3.39
XLogP3
4
Consensus LogP
3.74
Log S (ESOL)
-4.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.88
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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