![CAS 1334532-24-9 (3R)-4-[dimethyl(trideuteriomethyl)azaniumyl]-3-octanoyloxybutanoate:hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1334532-24-9.gif)
CAS RN: 1334532-24-9
(3R)-4-[dimethyl(trideuteriomethyl)azaniumyl]-3-octanoyloxybutanoate: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.20260212 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1334532-24-9
- Purity/Analytical Methods: >99.0%
1334532-24-9 / [(2R)-3-carboxy-2-octanoyloxypropyl]-dimethyl-(trideuteriomethyl)azanium chloride
Basic Information
CAS
1334532-24-9
Multi CAS
No
Molecular Formula
C15H30ClNO4
Molecular Weight
326.870000
Exact Mass
326.205166
SMILES
[2H]C([2H])([2H])[N+](C)(C)C[C@@H](CC(=O)O)OC(=O)CCCCCCC.[Cl-]
InChI
InChI=1S/C15H29NO4.ClH/c1-5-6-7-8-9-10-15(19)20-13(11-14(17)18)12-16(2,3)4;/h13H,5-12H2,1-4H3;1H/t13-;/m1./s1/i2D3;
InChIKey
MYMFUYYXIJGKKU-HZUATLIXSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.87
Rotatable bonds
11
H-bond acceptors
3
H-bond donors
1
Molar refractivity
78.41
TPSA
63.6
LogP / Solubility
WLOGP
-0.56
MLOGP
-0.47
XLogP3
-0.56
Consensus LogP
-0.53
Log S (ESOL)
-0.77
Class (ESOL)
Very soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.62
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
Low
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)
-5.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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