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CAS 1788901-86-9 Lenvatinib Impurity 5 molecular structure lightbox
CAS RN: 1788901-86-9

Lenvatinib Impurity 5

  • Product code: SSC-079675
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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: 1g
  • 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 1788901-86-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1788901-86-9 / 4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxy-1-oxidoquinolin-1-ium-6-carboxamide

Standard CAS: 1788901-86-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1788901-86-9
Multi CAS
No
Molecular Formula
C21H19ClN4O5
Molecular Weight
442.900000
Exact Mass
442.104397
SMILES
COC1=CC2=[N+](C=CC(=C2C=C1C(=O)N)OC3=CC(=C(C=C3)NC(=O)NC4CC4)Cl)[O-]
InChI
InChI=1S/C21H19ClN4O5/c1-30-19-10-17-13(9-14(19)20(23)27)18(6-7-26(17)29)31-12-4-5-16(15(22)8-12)25-21(28)24-11-2-3-11/h4-11H,2-3H2,1H3,(H2,23,27)(H2,24,25,28)
InChIKey
PLCPYTNTMUKPOL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
16
Fraction Csp3
0.19
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
3
Molar refractivity
114.68
TPSA
129.62

LogP / Solubility

WLOGP
3.31
MLOGP
2.94
XLogP3
1.8
Consensus LogP
2.68
Log S (ESOL)
-4.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.01
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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