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CAS 1047645-82-8 GSK2110183B molecular structure lightbox
CAS RN: 1047645-82-8

GSK2110183B

Product Availability

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9 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251004 5mg / 25mg / 100mg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250324 100mg In stock Tianjin Inquiry
Batchno.20260419 10mg In stock Shanghai, Wuhan Inquiry
Batchno.20250609 1g Out of stock Inquiry
Batchno.20260427 1mg In stock Shanghai Inquiry
Batchno.20250120 250mg Out of stock Inquiry
Batchno.20250328 2mg In stock Shanghai Inquiry
Batchno.20260527 50mg In stock Shenzhen, Tianjin Inquiry
Batchno.20260513 5mg In stock Shanghai Inquiry
  • Product code: SSC-006498
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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: 0.1g
  • 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 1047645-82-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

1047645-82-8 / N-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)thiophene-2-carboxamide;hydrochloride

Afuresertib hydrochloride | GSK2110183B | Afuresertib hydrochloride [USAN]

Standard CAS: 1047645-82-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1047645-82-8
Multi CAS
Yes
Molecular Formula
C18H18Cl3FN4OS
Molecular Weight
463.800000
Exact Mass
462.025094
SMILES
CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl.Cl
InChI
InChI=1S/C18H17Cl2FN4OS.ClH/c1-25-16(14(19)9-23-25)13-7-15(27-17(13)20)18(26)24-12(8-22)6-10-3-2-4-11(21)5-10;/h2-5,7,9,12H,6,8,22H2,1H3,(H,24,26);1H/t12-;/m0./s1
InChIKey
YFQJOPFTGMHYNV-YDALLXLXSA-N
Synonyms
Afuresertib hydrochloride GSK2110183B Afuresertib hydrochloride [USAN] UNII-0FC27E442O 0FC27E442O

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
16
Fraction Csp3
0.22
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
114.2
TPSA
72.94

LogP / Solubility

WLOGP
4.32
MLOGP
3.83
XLogP3
4.32
Consensus LogP
4.16
Log S (ESOL)
-5.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.48
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.98
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.48

Drug-likeness / Medicinal Chemistry

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

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