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CAS 2029205-64-7 Apixaban Impurity 5 molecular structure lightbox
CAS RN: 2029205-64-7

Apixaban Impurity 5

  • Product code: SSC-095549
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2029205-64-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 0 Out of Stock Hong Kong Inquiry

2029205-64-7 / 1-(4-chlorophenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

Standard CAS: 2029205-64-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2029205-64-7
Multi CAS
No
Molecular Formula
C24H22ClN5O3
Molecular Weight
463.900000
Exact Mass
463.141117
SMILES
C1CCN(C(=O)C1)C2=CC=C(C=C2)N3CCC4=C(C3=O)N(N=C4C(=O)N)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C24H22ClN5O3/c25-15-4-6-18(7-5-15)30-22-19(21(27-30)23(26)32)12-14-29(24(22)33)17-10-8-16(9-11-17)28-13-2-1-3-20(28)31/h4-11H,1-3,12-14H2,(H2,26,32)
InChIKey
NFXFGADYJNOBGL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
17
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
125.12
TPSA
101.53

LogP / Solubility

WLOGP
3.34
MLOGP
2.97
XLogP3
2.9
Consensus LogP
3.07
Log S (ESOL)
-4.94
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.93
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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