CAS RN: 10150-87-5
4-ACETOXY-2-BUTANONE TECH. 90
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.20250820 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS10150-87-5
- Purity/Analytical Methods: >99.0%
10150-87-5 / 3-oxobutyl acetate
2-Butanone, 4-(acetyloxy)- | 4-Acetoxy-2-butanone | 4-(acetyloxy)-2-Butanone
Basic Information
CAS
10150-87-5
Multi CAS
No
Molecular Formula
C6H10O3
Molecular Weight
130.140000
Exact Mass
130.062994
SMILES
CC(=O)CCOC(=O)C
InChI
InChI=1S/C6H10O3/c1-5(7)3-4-9-6(2)8/h3-4H2,1-2H3
InChIKey
NWCYECXHIYEBJE-UHFFFAOYSA-N
Synonyms
2-Butanone, 4-(acetyloxy)-
4-Acetoxy-2-butanone
4-(acetyloxy)-2-Butanone
5MV6V71NO6
NSC-78935
Physical Properties
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
31.93
TPSA
43.37
LogP / Solubility
WLOGP
0.53
MLOGP
0.46
XLogP3
-0.2
Consensus LogP
0.26
Log S (ESOL)
-0.78
Class (ESOL)
Very soluble
Log S (Ali)
-1.01
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.3
Class (SILICOS-IT)
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)
-3.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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