![CAS 1142946-17-5 7H-Pyrrolo[2,3-d]pyriMidin-2-aMine, 4-chloro-N-[4-(4-Methyl-1-piperazinyl)phenyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1142946-17-5.gif)
CAS RN: 1142946-17-5
7H-Pyrrolo[2,3-d]pyriMidin-2-aMine, 4-chloro-N-[4-(4-Methyl-1-piperazinyl)phenyl]-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250206 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1142946-17-5
- Purity/Analytical Methods: >99.0%
1142946-17-5 / 4-chloro-N-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
4-chloro-N-(4-(4-methylpiperazin-1-yl)phenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine | 4-Chloro-N-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine | SCHEMBL3966565
Basic Information
CAS
1142946-17-5
Multi CAS
No
Molecular Formula
C17H19ClN6
Molecular Weight
342.800000
Exact Mass
342.135972
SMILES
CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC4=C(C=CN4)C(=N3)Cl
InChI
InChI=1S/C17H19ClN6/c1-23-8-10-24(11-9-23)13-4-2-12(3-5-13)20-17-21-15(18)14-6-7-19-16(14)22-17/h2-7H,8-11H2,1H3,(H2,19,20,21,22)
InChIKey
RBEBSZBVRGALMI-UHFFFAOYSA-N
Synonyms
4-chloro-N-(4-(4-methylpiperazin-1-yl)phenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
4-Chloro-N-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SCHEMBL3966565
DTXSID40702218
DB-358271
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
15
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
98.33
TPSA
60.08
LogP / Solubility
WLOGP
3.11
MLOGP
2.75
XLogP3
3.4
Consensus LogP
3.09
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.83
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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