CAS RN: 62359-01-7
N,N-DIISOPROPYLETHYLAMINE P-TOLUENESULFONATE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250902 | 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS62359-01-7
- Purity/Analytical Methods: >99.0%
62359-01-7 / N-ethyl-N-propan-2-ylpropan-2-amine;4-methylbenzenesulfonic acid
Basic Information
CAS
62359-01-7
Multi CAS
No
Molecular Formula
C15H27NO3S
Molecular Weight
301.400000
Exact Mass
301.171165
InChI
InChI=1S/C8H19N.C7H8O3S/c1-6-9(7(2)3)8(4)5;1-6-2-4-7(5-3-6)11(8,9)10/h7-8H,6H2,1-5H3;2-5H,1H3,(H,8,9,10)
InChIKey
WALRQYFNEKCLGF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
83.65
TPSA
57.61
LogP / Solubility
WLOGP
3.37
MLOGP
2.97
XLogP3
3.37
Consensus LogP
3.24
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.89
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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