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CAS 2144748-14-9 Palbociclib-007 molecular structure lightbox
CAS RN: 2144748-14-9

Palbociclib-007

  • Product code: SSC-102828
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2144748-14-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shanghai Inquiry
0.25g >95% 5 In Stock Beijing Inquiry
1g >95% 3 In Stock Shenzhen Inquiry
5g >95% 2 In Stock Shanghai Inquiry

2144748-14-9 / 5-[4-(6-amino-3-pyridinyl)piperazin-1-yl]pyridin-2-amine

Standard CAS: 2144748-14-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2144748-14-9
Multi CAS
No
Molecular Formula
C14H18N6
Molecular Weight
270.330000
Exact Mass
270.159295
SMILES
C1CN(CCN1C2=CN=C(C=C2)N)C3=CN=C(C=C3)N
InChI
InChI=1S/C14H18N6/c15-13-3-1-11(9-17-13)19-5-7-20(8-6-19)12-2-4-14(16)18-10-12/h1-4,9-10H,5-8H2,(H2,15,17)(H2,16,18)
InChIKey
MSAXETYAXSLEJI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
81.72
TPSA
84.3

LogP / Solubility

WLOGP
0.97
MLOGP
0.86
XLogP3
0.8
Consensus LogP
0.88
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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