CAS RN: 2258-42-6
Formyl acetate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260501 | 100mg / 500mg / 1g / 5g | Confirm by inquiry | Shanghai, Chongqing, Shandong, Hebei | Inquiry |
- Product code: starshine_CAS2258-42-6
- Purity/Analytical Methods: >99.0%
2258-42-6 / formyl acetate
Basic Information
CAS
2258-42-6
Multi CAS
No
Molecular Formula
C3H4O3
Molecular Weight
88.060000
Exact Mass
88.016044
SMILES
CC(=O)OC=O
InChI
InChI=1S/C3H4O3/c1-3(5)6-2-4/h2H,1H3
InChIKey
ORWKVZNEPHTCQE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
17.83
TPSA
43.37
LogP / Solubility
WLOGP
-0.29
MLOGP
-0.27
XLogP3
-0.1
Consensus LogP
-0.22
Log S (ESOL)
-0.13
Class (ESOL)
Very soluble
Log S (Ali)
-0.07
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.11
Class (SILICOS-IT)
Very 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)
-3.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
2-HENEICOSANONE
- CAS RN: 22589-04-4
- Product Code: starshine_CAS22589-04-4
- Purity/Analytical method: >99.0%
-
-
-
(1S-trans)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid
- CAS RN: 2259-14-5
- Product Code: starshine_CAS2259-14-5
- Purity/Analytical method: >99.0%
-
2-(4-FLUOROPHENYL)-5,5-DIMETHYL-1,3,2-DIOXABORINANE
- CAS RN: 225916-39-2
- Product Code: SSC-110388
-
(S)-N-BOC-(2′-CHLOROPHENYL)GLYCINE
- CAS RN: 225918-60-5
- Product Code: starshine_CAS225918-60-5
- Purity/Analytical method: >99.0%
