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CAS 916849-52-0 1,4-Diaminobutane Dihydroiodide molecular structure lightbox
CAS RN: 916849-52-0

1,4-Diaminobutane Dihydroiodide

  • Product code: SSC-205074
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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: ≥97%
  • 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 916849-52-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

916849-52-0 / butane-1,4-diamine;dihydroiodide

Standard CAS: 916849-52-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
916849-52-0
Multi CAS
No
Molecular Formula
C4H14I2N2
Molecular Weight
343.980000
Exact Mass
343.924640
InChI
InChI=1S/C4H12N2.2HI/c5-3-1-2-4-6;;/h1-6H2;2*1H
InChIKey
XZUCBFLUEBDNSJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
58.17
TPSA
52.04

LogP / Solubility

WLOGP
0.92
MLOGP
0.83
XLogP3
0.92
Consensus LogP
0.89
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.02
Class (SILICOS-IT)
Poorly 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)
-4.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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