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CAS 1243259-19-9 [S-(R*,R*)]-2-AMino-3-Methyl-N-[2-(4-Morpholinyl)ethyl]pentanaMide Dihydrochloride molecular structure lightbox
CAS RN: 1243259-19-9

[S-(R*,R*)]-2-AMino-3-Methyl-N-[2-(4-Morpholinyl)ethyl]pentanaMide Dihydrochloride

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250412 100mg In stock Shanghai Inquiry
Batchno.20250507 10mg / 100mg Out of stock 15 business days Inquiry
Batchno.20260501 1g In stock Shanghai Inquiry
Batchno.20250101 250mg In stock Shanghai Inquiry
  • Product code: SSC-028222
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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 1243259-19-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1243259-19-9 / (2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;dihydrochloride

Standard CAS: 1243259-19-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1243259-19-9
Multi CAS
No
Molecular Formula
C12H27Cl2N3O2
Molecular Weight
316.260000
Exact Mass
315.148033
SMILES
CC[C@H](C)[C@@H](C(=O)NCCN1CCOCC1)N.Cl.Cl
InChI
InChI=1S/C12H25N3O2.2ClH/c1-3-10(2)11(13)12(16)14-4-5-15-6-8-17-9-7-15;;/h10-11H,3-9,13H2,1-2H3,(H,14,16);2*1H/t10-,11-;;/m0../s1
InChIKey
LLIHJRRZJDEKLB-ULEGLUPFSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.92
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
82.2
TPSA
67.59

LogP / Solubility

WLOGP
0.65
MLOGP
0.59
XLogP3
0.65
Consensus LogP
0.63
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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