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CAS 1206799-15-6 LY2801653 molecular structure lightbox
CAS RN: 1206799-15-6

LY2801653

Product Availability

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9 package records8 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250625 100mg In stock Shanghai Inquiry
Batchno.20250220 10mg In stock Shanghai Inquiry
Batchno.20250822 1g In stock Shanghai Inquiry
Batchno.20250825 1mg In stock Shanghai Inquiry
Batchno.20251207 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250914 25mg In stock Shanghai Inquiry
Batchno.20250117 50mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260516 5mg In stock Shanghai Inquiry
Batchno.20260520 5mg / 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-021750
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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 1206799-15-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1206799-15-6 / N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide

Merestinib | LY-2801653 | N-(3-fluoro-4-((1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yl)oxy)phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide

Standard CAS: 1206799-15-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1206799-15-6
Multi CAS
No
Molecular Formula
C30H22F2N6O3
Molecular Weight
552.500000
Exact Mass
552.172145
SMILES
CC1=CC=C(C(=O)N1C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)OC4=C(C=C5C(=C4)C=NN5C)C6=CNN=C6)F
InChI
InChI=1S/C30H22F2N6O3/c1-17-3-9-23(30(40)38(17)22-7-4-20(31)5-8-22)29(39)36-21-6-10-27(25(32)12-21)41-28-11-18-16-35-37(2)26(18)13-24(28)19-14-33-34-15-19/h3-16H,1-2H3,(H,33,34)(H,36,39)
InChIKey
QHADVLVFMKEIIP-UHFFFAOYSA-N
Synonyms
Merestinib LY-2801653 N-(3-fluoro-4-((1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yl)oxy)phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide 5OGS5K699E

Computed Properties

Structural Parameters

Heavy atom count
41
Aromatic heavy atom count
32
Fraction Csp3
0.07
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
2
Molar refractivity
149.46
TPSA
106.83

LogP / Solubility

WLOGP
5.75
MLOGP
5.1
XLogP3
4.7
Consensus LogP
5.18
Log S (ESOL)
-7.07
Class (ESOL)
Insoluble
Log S (Ali)
-8.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.74
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.01

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
5.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral] H351 (33.3%): Suspected of causing cancer [Warning Carcinogenicity] H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity] H372 (100%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P203, P260, P264, P270, P280, P301+P317, P318, P319, P330, P405, and P501

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