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CAS 295-64-7 1,4,7,10,13-PENTAAZACYCLOPENTADECANE molecular structure lightbox
CAS RN: 295-64-7

1,4,7,10,13-PENTAAZACYCLOPENTADECANE

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Batchno.20251019 100mg Out of stock Inquiry
  • Product code: starshine_CAS295-64-7
  • Purity/Analytical Methods: >99.0%
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295-64-7 / 1,4,7,10,13-pentazacyclopentadecane

Standard CAS: 295-64-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
295-64-7
Multi CAS
No
Molecular Formula
C10H25N5
Molecular Weight
215.340000
Exact Mass
215.210996
InChI
InChI=1S/C10H25N5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1/h11-15H,1-10H2
InChIKey
KDCBVVQAMMXRFB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
1
H-bond acceptors
5
H-bond donors
5
Molar refractivity
64.35
TPSA
60.15

LogP / Solubility

WLOGP
-2.05
MLOGP
-1.8
XLogP3
-2.8
Consensus LogP
-2.22
Log S (ESOL)
0.12
Class (ESOL)
Highly soluble
Log S (Ali)
0.16
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.64
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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