CAS RN: 1824382-78-6
3-keto Sphinganine (d8:0) (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.20250510 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1824382-78-6
- Purity/Analytical Methods: >99.0%
1824382-78-6 / 2-amino-1-hydroxyoctan-3-one;hydrochloride
Basic Information
CAS
1824382-78-6
Multi CAS
No
Molecular Formula
C8H18ClNO2
Molecular Weight
195.690000
Exact Mass
195.102607
SMILES
CCCCCC(=O)C(CO)N.Cl
InChI
InChI=1S/C8H17NO2.ClH/c1-2-3-4-5-8(11)7(9)6-10;/h7,10H,2-6,9H2,1H3;1H
InChIKey
NWFWOIYZQVEYGG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.88
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
51.46
TPSA
63.32
LogP / Solubility
WLOGP
0.88
MLOGP
0.77
XLogP3
0.88
Consensus LogP
0.84
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.38
Class (SILICOS-IT)
Moderately 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)
-3.29
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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