CAS RN: 144256-12-2
((S)-2,2-dimethyl-1,3-dioxolan-4-yl)methyl 3-(4-(((S)-oxiran-2-yl)methoxy)phenyl)propanoate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260411 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS144256-12-2
- Purity/Analytical Methods: >99.0%
144256-12-2 / [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 3-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]propanoate
Basic Information
CAS
144256-12-2
Multi CAS
No
Molecular Formula
C18H24O6
Molecular Weight
336.400000
Exact Mass
336.157288
SMILES
CC1(OC[C@H](O1)COC(=O)CCC2=CC=C(C=C2)OC[C@@H]3CO3)C
InChI
InChI=1S/C18H24O6/c1-18(2)23-12-16(24-18)11-22-17(19)8-5-13-3-6-14(7-4-13)20-9-15-10-21-15/h3-4,6-7,15-16H,5,8-12H2,1-2H3/t15-,16-/m1/s1
InChIKey
KRWYNMRVFUJBLH-HZPDHXFCSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
8
H-bond acceptors
6
Molar refractivity
85.86
TPSA
66.52
LogP / Solubility
WLOGP
2.09
MLOGP
1.86
XLogP3
1.9
Consensus LogP
1.95
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.54
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.29
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
3.5
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