CAS RN: 7173-62-8
(Z)-N-9-octadecenylpropane-1,3-diamine
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251115 | 25g / 100g / 250g / 1kg / 5kg | Confirm by inquiry | Shanghai, Shandong, Chongqing, Hebei | 1 business days | Inquiry |
- Product code: starshine_CAS7173-62-8
- Purity/Analytical Methods: >99.0%
7173-62-8 / N'-octadec-9-enylpropane-1,3-diamine
Basic Information
CAS
7173-62-8
Multi CAS
Yes
Molecular Formula
C21H44N2
Molecular Weight
324.600000
Exact Mass
324.350449
InChI
InChI=1S/C21H44N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22/h9-10,23H,2-8,11-22H2,1H3/b10-9-
InChIKey
TUFJPPAQOXUHRI-KTKRTIGZSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.9
Rotatable bonds
19
H-bond acceptors
2
H-bond donors
2
Molar refractivity
105.99
TPSA
38.05
LogP / Solubility
WLOGP
5.96
MLOGP
5.26
XLogP3
7.1
Consensus LogP
6.11
Log S (ESOL)
-4.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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