CAS RN: 134098-68-3
SALOR-INT L130796-1EA
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.20260204 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS134098-68-3
- Purity/Analytical Methods: >99.0%
134098-68-3 / 3-(2-acetyloxy-4,6-dimethylphenyl)-3-methylbutanoic acid
Basic Information
CAS
134098-68-3
Multi CAS
No
Molecular Formula
C15H20O4
Molecular Weight
264.320000
Exact Mass
264.136159
SMILES
CC1=CC(=C(C(=C1)OC(=O)C)C(C)(C)CC(=O)O)C
InChI
InChI=1S/C15H20O4/c1-9-6-10(2)14(12(7-9)19-11(3)16)15(4,5)8-13(17)18/h6-7H,8H2,1-5H3,(H,17,18)
InChIKey
IRUYOPOSEOEWIN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
72.5
TPSA
63.6
LogP / Solubility
WLOGP
2.98
MLOGP
2.63
XLogP3
3
Consensus LogP
2.87
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.33
Class (SILICOS-IT)
Slightly 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)
-2.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Acute Toxic
Irritant
Signal
Danger
GHS Hazard Statements
H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501
Customers Also Viewed
-
-
2,6-Difluoro-4-(trifluoromethyl)benzaldehyde
- CAS RN: 134099-34-6
- Product Code: SSC-041370
-
-
[(1R,2R)-2-hydroxycyclohexyl]CarbaMic acidphenylMethyl ester
- CAS RN: 134108-76-2
- Product Code: starshine_CAS134108-76-2
- Purity/Analytical method: >99.0%
-
Benzene, 1-(2-bromo-1,1,2,2-tetrafluoroethoxy)-3-(trifluoromethyl)-
- CAS RN: 134130-31-7
- Product Code: starshine_CAS134130-31-7
- Purity/Analytical method: >99.0%
-
![CAS 134108-76-2 [(1R,2R)-2-hydroxycyclohexyl]CarbaMic acidphenylMethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/134108-76-2.gif)
