CAS RN: 71758-10-6
2-ETHYL-6-SEC-BUTYLANILINE
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260622 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS71758-10-6
- Purity/Analytical Methods: >99.0%
71758-10-6 / 2-butan-2-yl-6-ethylaniline
Basic Information
CAS
71758-10-6
Multi CAS
Yes
Molecular Formula
C12H19N
Molecular Weight
177.290000
Exact Mass
177.151750
InChI
InChI=1S/C12H19N/c1-4-9(3)11-8-6-7-10(5-2)12(11)13/h6-9H,4-5,13H2,1-3H3
InChIKey
ZZWRNKKMYDEAIK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.94
TPSA
26.02
LogP / Solubility
WLOGP
3.34
MLOGP
2.94
XLogP3
3.7
Consensus LogP
3.33
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
Class (SILICOS-IT)
Poorly 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)
-1.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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