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CAS 61345-87-7 N4,N9-Dimethylspermine molecular structure lightbox
CAS RN: 61345-87-7

N4,N9-Dimethylspermine

  • Product code: SSC-170185
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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: 0.1g
  • 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 61345-87-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

61345-87-7 / N,N'-bis(3-aminopropyl)-N,N'-dimethylbutane-1,4-diamine

Standard CAS: 61345-87-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
61345-87-7
Multi CAS
No
Molecular Formula
C12H30N4
Molecular Weight
230.390000
Exact Mass
230.247047
InChI
InChI=1S/C12H30N4/c1-15(11-5-7-13)9-3-4-10-16(2)12-6-8-14/h3-14H2,1-2H3
InChIKey
VCYSCRLAZCOBBO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
11
H-bond acceptors
4
H-bond donors
2
Molar refractivity
71.57
TPSA
58.52

LogP / Solubility

WLOGP
0.33
MLOGP
0.29
XLogP3
-0.2
Consensus LogP
0.14
Log S (ESOL)
-0.75
Class (ESOL)
Very soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.75
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)
-3.89

Drug-likeness / Medicinal Chemistry

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

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