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CAS 3844-53-9 Ethyl 2,6-diaminohexanoate dihydrochloride molecular structure lightbox
CAS RN: 3844-53-9

Ethyl 2,6-diaminohexanoate dihydrochloride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251009 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Chongqing, Hebei Inquiry
  • Product code: SSC-146074
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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: 100g
  • 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 3844-53-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Shanghai Inquiry

3844-53-9 / ethyl (2S)-2,6-diaminohexanoate;dihydrochloride

Standard CAS: 3844-53-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3844-53-9
Multi CAS
Yes
Molecular Formula
C8H20CL2N2O2
Molecular Weight
247.160000
Exact Mass
246.090183
InChI
InChI=1S/C8H18N2O2.2ClH/c1-2-12-8(11)7(10)5-3-4-6-9;;/h7H,2-6,9-10H2,1H3;2*1H/t7-;;/m0../s1
InChIKey
DZIYAIZKJOHVQC-KLXURFKVSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.88
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
62.01
TPSA
78.34

LogP / Solubility

WLOGP
0.85
MLOGP
0.75
XLogP3
0.85
Consensus LogP
0.82
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
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)
-3.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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