CAS RN: 147027-09-6
(2R,5R)-L-Menthyl-5-(acetyloxy)-1,3-oxathiolane-2-carboxylate
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.20260223 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS147027-09-6
- Purity/Analytical Methods: >99.0%
147027-09-6 / [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R,5R)-5-acetyloxy-1,3-oxathiolane-2-carboxylate
Basic Information
CAS
147027-09-6
Multi CAS
No
Molecular Formula
C16H26O5S
Molecular Weight
330.400000
Exact Mass
330.150095
SMILES
C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H]2O[C@H](CS2)OC(=O)C)C(C)C
InChI
InChI=1S/C16H26O5S/c1-9(2)12-6-5-10(3)7-13(12)20-15(18)16-21-14(8-22-16)19-11(4)17/h9-10,12-14,16H,5-8H2,1-4H3/t10-,12+,13-,14-,16-/m1/s1
InChIKey
JYUPOLQFLIRYEQ-PBEGBBSFSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.88
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
84.11
TPSA
61.83
LogP / Solubility
WLOGP
2.97
MLOGP
2.63
XLogP3
4.1
Consensus LogP
3.23
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.75
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)
-2.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
5
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