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CAS 1038915-60-4 Niraparib molecular structure lightbox
CAS RN: 1038915-60-4

Niraparib

  • Product code: SSC-005553
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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: >97%
  • 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 1038915-60-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Hong Kong Inquiry
0.25g >97% 5 In Stock Shenzhen Inquiry
1g >97% 2 In Stock Shanghai Inquiry
5g >97% 2 In Stock Shenzhen Inquiry

1038915-60-4 / 2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide

2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide | 2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide | CHEBI:177298

Standard CAS: 1038915-60-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1038915-60-4
Multi CAS
Yes
Molecular Formula
C19H20N4O
Molecular Weight
320.400000
Exact Mass
320.163711
SMILES
C1C[C@H](CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N
InChI
InChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m1/s1
InChIKey
PCHKPVIQAHNQLW-CQSZACIVSA-N
Synonyms
2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide 2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide CHEBI:177298 RefChem:456549 MK-4827 Racemate

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
15
Fraction Csp3
0.26
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
94.43
TPSA
72.94

LogP / Solubility

WLOGP
2.59
MLOGP
2.29
XLogP3
2.2
Consensus LogP
2.36
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.25
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)
-2.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral] H340 (94.7%): May cause genetic defects [Danger Germ cell mutagenicity] H361 (94.7%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity] H373 (97.4%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P203, P260, P264, P270, P280, P301+P317, P318, P319, P330, P405, and P501

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