![CAS 832738-26-8 methyl 4-[4-(difluoromethoxy)phenyl]-2,4-dioxobutanoate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/832738-26-8.gif)
CAS RN: 832738-26-8
methyl 4-[4-(difluoromethoxy)phenyl]-2,4-dioxobutanoate
- Product code: SSC-191171
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
832738-26-8 / methyl 4-[4-(difluoromethoxy)phenyl]-2,4-dioxobutanoate
Basic Information
CAS
832738-26-8
Multi CAS
Yes
Molecular Formula
C12F2H10O5
Molecular Weight
272.200000
Exact Mass
272.049630
InChI
InChI=1S/C12H10F2O5/c1-18-11(17)10(16)6-9(15)7-2-4-8(5-3-7)19-12(13)14/h2-5,12H,6H2,1H3
InChIKey
IQSRGGMRZAEQNE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
59.04
TPSA
69.67
LogP / Solubility
WLOGP
1.6
MLOGP
1.42
XLogP3
2.4
Consensus LogP
1.81
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.48
Class (SILICOS-IT)
Poorly 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)
-3.24
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
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