CAS RN: 27487-66-7
D 620
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.20251118 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS27487-66-7
- Purity/Analytical Methods: >99.0%
27487-66-7 / 5-amino-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile
Basic Information
CAS
27487-66-7
Multi CAS
Yes
Molecular Formula
C16H24N2O2
Molecular Weight
276.370000
Exact Mass
276.183778
InChI
InChI=1S/C16H24N2O2/c1-12(2)16(11-18,8-5-9-17)13-6-7-14(19-3)15(10-13)20-4/h6-7,10,12H,5,8-9,17H2,1-4H3
InChIKey
UCWOSFAANAZHKR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
1
Molar refractivity
79.96
TPSA
68.27
LogP / Solubility
WLOGP
2.86
MLOGP
2.53
XLogP3
0.9
Consensus LogP
2.1
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.67
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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- CAS RN: 2749-28-2
- Product Code: starshine_CAS2749-28-2
- Purity/Analytical method: >99.0%
