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CAS 2410284-90-9 Nintedanib Impurity 50 molecular structure lightbox
CAS RN: 2410284-90-9

Nintedanib Impurity 50

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250820 1mg Out of stock 15 business days Inquiry
  • Product code: SSC-117459
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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 2410284-90-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

2410284-90-9 / methyl 2-hydroxy-3-[N-[4-[[2-[4-[2-[4-[[(2-hydroxy-6-methoxycarbonyl-1H-indol-3-yl)-phenylmethylidene]amino]-N-methylanilino]-2-oxoethyl]piperazin-1-yl]acetyl]-methylamino]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate

Standard CAS: 2410284-90-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2410284-90-9
Multi CAS
No
Molecular Formula
C56H52N8O8
Molecular Weight
965.100000
Exact Mass
964.390811
SMILES
CN(C1=CC=C(C=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)OC)O)C(=O)CN5CCN(CC5)CC(=O)N(C)C6=CC=C(C=C6)N=C(C7=CC=CC=C7)C8=C(NC9=C8C=CC(=C9)C(=O)OC)O
InChI
InChI=1S/C56H52N8O8/c1-61(41-21-17-39(18-22-41)57-51(35-11-7-5-8-12-35)49-43-25-15-37(55(69)71-3)31-45(43)59-53(49)67)47(65)33-63-27-29-64(30-28-63)34-48(66)62(2)42-23-19-40(20-24-42)58-52(36-13-9-6-10-14-36)50-44-26-16-38(56(70)72-4)32-46(44)60-54(50)68/h5-26,31-32,59-60,67-68H,27-30,33-34H2,1-4H3
InChIKey
PLIRRRZAHWLPON-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
72
Aromatic heavy atom count
42
Fraction Csp3
0.18
Rotatable bonds
14
H-bond acceptors
12
H-bond donors
4
Molar refractivity
278.67
TPSA
196.46

LogP / Solubility

WLOGP
8.22
MLOGP
7.32
XLogP3
8.5
Consensus LogP
8.01
Log S (ESOL)
-10.51
Class (ESOL)
Insoluble
Log S (Ali)
-13.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.43
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)
-2.77

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7

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