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CAS 110044-82-1 Calpain Inhibitor I molecular structure lightbox
CAS RN: 110044-82-1

Calpain Inhibitor I

Product Availability

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12 package records11 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260601 100mg In stock Inquiry
Batchno.20260217 10mg In stock Inquiry
Batchno.20250312 25mg In stock Inquiry
Batchno.20250417 50mg In stock Inquiry
Batchno.20260523 5mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260214 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260213 100mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250730 10mg In stock Shanghai Inquiry
Batchno.20250319 1g Out of stock Inquiry
Batchno.20250727 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250709 25mg In stock Shanghai Inquiry
Batchno.20260503 50mg In stock Shanghai Inquiry
  • Product code: SSC-011300
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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 110044-82-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

110044-82-1 / (2S)-2-acetamido-4-methyl-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxohexan-2-yl]amino]pentan-2-yl]pentanamide

C20H37N3O4 | SCHEMBL258985 | 2-acetamido-4-methyl-N-[4-methyl-1-oxo-1-(1-oxohexan-2-ylamino)pentan-2-yl]pentanamide

Standard CAS: 110044-82-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
110044-82-1
Multi CAS
Yes
Molecular Formula
C20H37N3O4
Molecular Weight
383.500000
Exact Mass
383.278407
SMILES
CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C
InChI
InChI=1S/C20H37N3O4/c1-7-8-9-16(12-24)22-19(26)18(11-14(4)5)23-20(27)17(10-13(2)3)21-15(6)25/h12-14,16-18H,7-11H2,1-6H3,(H,21,25)(H,22,26)(H,23,27)/t16-,17-,18-/m0/s1
InChIKey
FMYKJLXRRQTBOR-BZSNNMDCSA-N
Synonyms
C20H37N3O4 SCHEMBL258985 2-acetamido-4-methyl-N-[4-methyl-1-oxo-1-(1-oxohexan-2-ylamino)pentan-2-yl]pentanamide DB-040894 2-acetamido-N-[1-(1-formylpentylcarbamoyl)-3-methyl-butyl]-4-methyl-pentanamide

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
0.8
Rotatable bonds
13
H-bond acceptors
4
H-bond donors
3
Molar refractivity
105.97
TPSA
104.37

LogP / Solubility

WLOGP
1.94
MLOGP
1.73
XLogP3
3
Consensus LogP
2.22
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.32
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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