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CAS 2143930-76-9 Lenvatinib Impurity O molecular structure lightbox
CAS RN: 2143930-76-9

Lenvatinib Impurity O

  • Product code: SSC-102794
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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: ≥95%
  • 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 2143930-76-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

2143930-76-9 / 4-[3-chloro-4-(dimethylcarbamoylamino)phenoxy]-7-methoxyquinoline-6-carboxamide

Standard CAS: 2143930-76-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2143930-76-9
Multi CAS
No
Molecular Formula
C20H19ClN4O4
Molecular Weight
414.800000
Exact Mass
414.109483
SMILES
CN(C)C(=O)NC1=C(C=C(C=C1)OC2=C3C=C(C(=CC3=NC=C2)OC)C(=O)N)Cl
InChI
InChI=1S/C20H19ClN4O4/c1-25(2)20(27)24-15-5-4-11(8-14(15)21)29-17-6-7-23-16-10-18(28-3)13(19(22)26)9-12(16)17/h4-10H,1-3H3,(H2,22,26)(H,24,27)
InChIKey
WEXATQSILUOWFN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
16
Fraction Csp3
0.15
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
111.04
TPSA
106.78

LogP / Solubility

WLOGP
3.88
MLOGP
3.44
XLogP3
2.4
Consensus LogP
3.24
Log S (ESOL)
-4.94
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.18
Class (SILICOS-IT)
Insoluble

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)
-2.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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