CAS RN: 141505-05-7
4-Dodecyloxy-m-phenylenediamine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260508 | 1g / 5g / 25g | Confirm by inquiry | Shanghai, Guangdong | Inquiry |
- Product code: starshine_CAS141505-05-7
- Purity/Analytical Methods: >99.0%
141505-05-7 / 4-dodecoxybenzene-1,3-diamine
Basic Information
CAS
141505-05-7
Multi CAS
No
Molecular Formula
C18H32N2O
Molecular Weight
292.500000
Exact Mass
292.251464
SMILES
CCCCCCCCCCCCOC1=C(C=C(C=C1)N)N
InChI
InChI=1S/C18H32N2O/c1-2-3-4-5-6-7-8-9-10-11-14-21-18-13-12-16(19)15-17(18)20/h12-13,15H,2-11,14,19-20H2,1H3
InChIKey
YBNWBQXABYLBMR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
12
H-bond acceptors
3
H-bond donors
2
Molar refractivity
92.61
TPSA
61.27
LogP / Solubility
WLOGP
5.15
MLOGP
4.54
XLogP3
6.1
Consensus LogP
5.26
Log S (ESOL)
-4.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.28
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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