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CAS 1005342-46-0 LCL-161 molecular structure lightbox
CAS RN: 1005342-46-0

LCL-161

Product Availability

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250324 100mg In stock Shanghai Inquiry
Batchno.20251125 1g In stock Shanghai Inquiry
Batchno.20251223 1mg In stock Shanghai Inquiry
Batchno.20260429 250mg In stock Shanghai Inquiry
Batchno.20250117 25mg In stock Shanghai Inquiry
Batchno.20250515 50mg In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-001129
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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 1005342-46-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry

1005342-46-0 / (2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide

LCL161 | LCL-161 | LCL 161

Standard CAS: 1005342-46-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1005342-46-0
Multi CAS
Yes
Molecular Formula
C26H33FN4O3S
Molecular Weight
500.600000
Exact Mass
500.225740
SMILES
C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC
InChI
InChI=1S/C26H33FN4O3S/c1-16(28-2)24(33)30-22(17-7-4-3-5-8-17)26(34)31-14-6-9-21(31)25-29-20(15-35-25)23(32)18-10-12-19(27)13-11-18/h10-13,15-17,21-22,28H,3-9,14H2,1-2H3,(H,30,33)/t16-,21-,22-/m0/s1
InChIKey
UFPFGVNKHCLJJO-SSKFGXFMSA-N
Synonyms
LCL161 LCL-161 LCL 161 Nvp-lcl 161 (2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
11
Fraction Csp3
0.54
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
2
Molar refractivity
132.66
TPSA
91.4

LogP / Solubility

WLOGP
3.85
MLOGP
3.42
XLogP3
4.3
Consensus LogP
3.86
Log S (ESOL)
-5.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.07
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)
-3.04

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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