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CAS 1574285-91-8 Benzamide, 4-(difluoromethoxy)-3-(1-methylethoxy)- molecular structure lightbox
CAS RN: 1574285-91-8

Benzamide, 4-(difluoromethoxy)-3-(1-methylethoxy)-

  • Product code: SSC-066412
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1574285-91-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1574285-91-8 / 4-(difluoromethoxy)-3-propan-2-yloxybenzamide

Standard CAS: 1574285-91-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1574285-91-8
Multi CAS
No
Molecular Formula
C11H13F2NO3
Molecular Weight
245.220000
Exact Mass
245.086350
SMILES
CC(C)OC1=C(C=CC(=C1)C(=O)N)OC(F)F
InChI
InChI=1S/C11H13F2NO3/c1-6(2)16-9-5-7(10(14)15)3-4-8(9)17-11(12)13/h3-6,11H,1-2H3,(H2,14,15)
InChIKey
ZUVZQJUEVSEJBU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.36
TPSA
61.55

LogP / Solubility

WLOGP
2.17
MLOGP
1.92
XLogP3
2.7
Consensus LogP
2.26
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
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)
-2.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.

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