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CAS 1140525-25-2 SB 290157 trifluoroacetate salt molecular structure lightbox
CAS RN: 1140525-25-2

SB 290157 trifluoroacetate salt

Product Availability

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7 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251202 100mg In stock Shanghai Inquiry
Batchno.20260405 10mg In stock Shanghai Inquiry
Batchno.20251115 1mg In stock Shanghai Inquiry
Batchno.20260606 250mg In stock Shanghai Inquiry
Batchno.20251001 25mg In stock Shanghai Inquiry
Batchno.20251114 50mg In stock Shanghai Inquiry
Batchno.20250919 5mg In stock Shanghai Inquiry
  • Product code: SSC-013946
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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 1140525-25-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1140525-25-2 / (2S)-5-(diaminomethylideneamino)-2-[[2-(2,2-diphenylethoxy)acetyl]amino]pentanoic acid;2,2,2-trifluoroacetic acid

SB290157 trifluoroacetate | SB 290157 trifluoroacetate salt | SB290157 (trifluoroacetate)

Standard CAS: 1140525-25-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1140525-25-2
Multi CAS
Yes
Molecular Formula
C24H29F3N4O6
Molecular Weight
526.500000
Exact Mass
526.203919
SMILES
C1=CC=C(C=C1)C(COCC(=O)N[C@@H](CCCN=C(N)N)C(=O)O)C2=CC=CC=C2.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C22H28N4O4.C2HF3O2/c23-22(24)25-13-7-12-19(21(28)29)26-20(27)15-30-14-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17;3-2(4,5)1(6)7/h1-6,8-11,18-19H,7,12-15H2,(H,26,27)(H,28,29)(H4,23,24,25);(H,6,7)/t19-;/m0./s1
InChIKey
ZJRMPPVJAQWGEG-FYZYNONXSA-N
Synonyms
SB290157 trifluoroacetate SB 290157 trifluoroacetate salt SB290157 (trifluoroacetate) (2S)-5-(diaminomethylideneamino)-2-[[2-(2,2-diphenylethoxy)acetyl]amino]pentanoic acid;2,2,2-trifluoroacetic acid MFCD04974198

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
12
H-bond acceptors
5
H-bond donors
5
Molar refractivity
128.71
TPSA
177.33

LogP / Solubility

WLOGP
2.09
MLOGP
1.88
XLogP3
2.09
Consensus LogP
2.02
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.26
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
No
Log Kp (skin permeation)
-4.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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