CAS RN: 6278-90-6
Octyl 2-amino-3-(1H-indol-3-yl)propanoate hydrochloride
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.20260210 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINO899141
6278-90-6 / octyl 2-amino-3-(1H-indol-3-yl)propanoate;hydrochloride
Basic Information
CAS
6278-90-6
Multi CAS
No
Molecular Formula
C19H29CLN2O2
Molecular Weight
352.900000
Exact Mass
352.191756
InChI
InChI=1S/C19H28N2O2.ClH/c1-2-3-4-5-6-9-12-23-19(22)17(20)13-15-14-21-18-11-8-7-10-16(15)18;/h7-8,10-11,14,17,21H,2-6,9,12-13,20H2,1H3;1H
InChIKey
IASIBURGMIVLIA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
9
Fraction Csp3
0.53
Rotatable bonds
10
H-bond acceptors
3
H-bond donors
2
Molar refractivity
101.56
TPSA
68.11
LogP / Solubility
WLOGP
4.36
MLOGP
3.86
XLogP3
4.36
Consensus LogP
4.19
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.78
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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