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CAS 2380197-90-8 Lenvatinib Impurity 2 molecular structure lightbox
CAS RN: 2380197-90-8

Lenvatinib Impurity 2

  • Product code: SSC-115909
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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 2380197-90-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

2380197-90-8 / 4-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chloroanilino]-7-methoxyquinoline-6-carboxamide

Standard CAS: 2380197-90-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2380197-90-8
Multi CAS
No
Molecular Formula
C28H22ClN5O5
Molecular Weight
544.000000
Exact Mass
543.130947
SMILES
COC1=CC2=NC=CC(=C2C=C1C(=O)N)NC3=C(C=C(C=C3)OC4=C5C=C(C(=CC5=NC=C4)OC)C(=O)N)Cl
InChI
InChI=1S/C28H22ClN5O5/c1-37-25-12-22-15(10-17(25)27(30)35)20(5-7-32-22)34-21-4-3-14(9-19(21)29)39-24-6-8-33-23-13-26(38-2)18(28(31)36)11-16(23)24/h3-13H,1-2H3,(H2,30,35)(H2,31,36)(H,32,34)
InChIKey
HMDLDWUQKHFSAE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
26
Fraction Csp3
0.07
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
3
Molar refractivity
148.43
TPSA
151.68

LogP / Solubility

WLOGP
5.19
MLOGP
4.61
XLogP3
3.9
Consensus LogP
4.57
Log S (ESOL)
-6.45
Class (ESOL)
Insoluble
Log S (Ali)
-7.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.46
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.36

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5

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