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CAS 2227149-22-4 DS18561882 molecular structure lightbox
CAS RN: 2227149-22-4

DS18561882

Product Availability

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6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250601 100mg In stock Shanghai Inquiry
Batchno.20250508 10mg In stock Shanghai Inquiry
Batchno.20250402 250mg Out of stock Inquiry
Batchno.20250131 25mg In stock Shanghai Inquiry
Batchno.20250521 50mg In stock Shanghai Inquiry
Batchno.20250226 5mg In stock Shanghai Inquiry
  • Product code: SSC-107385
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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 2227149-22-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

2227149-22-4 / N-[4-[8-[(3S)-3,4-dimethylpiperazin-1-yl]-7-methyl-5-oxo-2,4-dihydro-1H-chromeno[3,4-c]pyridine-3-carbonyl]-2-(trifluoromethoxy)phenyl]methanesulfonamide

Standard CAS: 2227149-22-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2227149-22-4
Multi CAS
No
Molecular Formula
C28H31F3N4O6S
Molecular Weight
608.600000
Exact Mass
608.191640
SMILES
C[C@H]1CN(CCN1C)C2=C(C3=C(C=C2)C4=C(CN(CC4)C(=O)C5=CC(=C(C=C5)NS(=O)(=O)C)OC(F)(F)F)C(=O)O3)C
InChI
InChI=1S/C28H31F3N4O6S/c1-16-14-34(12-11-33(16)3)23-8-6-20-19-9-10-35(15-21(19)27(37)40-25(20)17(23)2)26(36)18-5-7-22(32-42(4,38)39)24(13-18)41-28(29,30)31/h5-8,13,16,32H,9-12,14-15H2,1-4H3/t16-/m0/s1
InChIKey
OQKAKSSZSQPTDZ-INIZCTEOSA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
16
Fraction Csp3
0.43
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
1
Molar refractivity
151.56
TPSA
112.4

LogP / Solubility

WLOGP
3.71
MLOGP
3.31
XLogP3
3.3
Consensus LogP
3.44
Log S (ESOL)
-5.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.3
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-3.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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