CAS RN: 29833-31-6
ethyl ester- 8-amino- Octanoic acid, hydrochloride (1:1)
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.20260224 | 1g / 5g / 10g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS29833-31-6
- Purity/Analytical Methods: >99.0%
29833-31-6 / ethyl 8-aminooctanoate;hydrochloride
Basic Information
CAS
29833-31-6
Multi CAS
No
Molecular Formula
C10H22CLNO2
Molecular Weight
223.740000
Exact Mass
223.133907
InChI
InChI=1S/C10H21NO2.ClH/c1-2-13-10(12)8-6-4-3-5-7-9-11;/h2-9,11H2,1H3;1H
InChIKey
MARYNTIOKYZZQK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.64
TPSA
52.32
LogP / Solubility
WLOGP
2.27
MLOGP
2
XLogP3
2.27
Consensus LogP
2.18
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.96
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)
-2.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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