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CAS 4427-76-3 sym-homospermidine molecular structure lightbox
CAS RN: 4427-76-3

sym-homospermidine

  • Product code: SSC-152249
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 4427-76-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Hong Kong Inquiry
0.25g -- 1 In Stock Shenzhen Inquiry
1g -- 1 In Stock Shenzhen Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g -- 0 Out of Stock Shenzhen Inquiry

4427-76-3 / N'-(4-aminobutyl)butane-1,4-diamine

Standard CAS: 4427-76-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4427-76-3
Multi CAS
Yes
Molecular Formula
C8H21N3
Molecular Weight
159.270000
Exact Mass
159.173548
InChI
InChI=1S/C8H21N3/c9-5-1-3-7-11-8-4-2-6-10/h11H,1-10H2
InChIKey
UODZHRGDSPLRMD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
3
Molar refractivity
49.45
TPSA
64.07

LogP / Solubility

WLOGP
0.05
MLOGP
0.04
XLogP3
-0.7
Consensus LogP
-0.2
Log S (ESOL)
-0.33
Class (ESOL)
Very soluble
Log S (Ali)
-0.9
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.7
Class (SILICOS-IT)
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)
-3.65

Drug-likeness / Medicinal Chemistry

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

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