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CAS 1150164-80-9 Ethyl2,2-difluoro-2-(2-methoxyphenyl)acetate molecular structure lightbox
CAS RN: 1150164-80-9

Ethyl2,2-difluoro-2-(2-methoxyphenyl)acetate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250801 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-014729
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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: 5g
  • 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 1150164-80-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

1150164-80-9 / ethyl 2,2-difluoro-2-(2-methoxyphenyl)acetate

ETHYL 2,2-DIFLUORO-2-(2-METHOXYPHENYL)ACETATE | MFCD12026027 | Ethyl difluoro(2-methoxyphenyl)acetate

Standard CAS: 1150164-80-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1150164-80-9
Multi CAS
No
Molecular Formula
C11H12F2O3
Molecular Weight
230.210000
Exact Mass
230.075451
SMILES
CCOC(=O)C(C1=CC=CC=C1OC)(F)F
InChI
InChI=1S/C11H12F2O3/c1-3-16-10(14)11(12,13)8-6-4-5-7-9(8)15-2/h4-7H,3H2,1-2H3
InChIKey
ZYZZZXOHDXPMGK-UHFFFAOYSA-N
Synonyms
ETHYL 2,2-DIFLUORO-2-(2-METHOXYPHENYL)ACETATE MFCD12026027 Ethyl difluoro(2-methoxyphenyl)acetate Benzeneacetic acid, alpha,alpha-difluoro-2-methoxy-, ethyl ester Ethyl2,2-difluoro-2-(2-methoxyphenyl)acetate

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
53.52
TPSA
35.53

LogP / Solubility

WLOGP
2.35
MLOGP
2.07
XLogP3
2.8
Consensus LogP
2.41
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
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)
-2.46

Drug-likeness / Medicinal Chemistry

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

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