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CAS 70862-11-2 thermospermine molecular structure lightbox
CAS RN: 70862-11-2

thermospermine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260322 5mg / 10mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS70862-11-2
  • Purity/Analytical Methods: >99.0%
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70862-11-2 / N'-[3-(3-aminopropylamino)propyl]butane-1,4-diamine

Standard CAS: 70862-11-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
70862-11-2
Multi CAS
Yes
Molecular Formula
C10H26N4
Molecular Weight
202.340000
Exact Mass
202.215747
InChI
InChI=1S/C10H26N4/c11-5-1-2-7-13-9-4-10-14-8-3-6-12/h13-14H,1-12H2
InChIKey
DODDBCGMRAFLEB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
11
H-bond acceptors
4
H-bond donors
4
Molar refractivity
62.32
TPSA
76.1

LogP / Solubility

WLOGP
-0.36
MLOGP
-0.31
XLogP3
-1.1
Consensus LogP
-0.59
Log S (ESOL)
-0.14
Class (ESOL)
Very soluble
Log S (Ali)
-0.96
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-2
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)
-4.21

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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