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CAS 2055841-05-7 (1R,2R)-rel-2-(3-ethoxy-4-fluorophenyl)cyclopropane-1-carboxylic acid molecular structure lightbox
CAS RN: 2055841-05-7

(1R,2R)-rel-2-(3-ethoxy-4-fluorophenyl)cyclopropane-1-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250421 100mg / 500mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-096797
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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 2055841-05-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

2055841-05-7 / trans-(1R,2R)-2-(3-ethoxy-4-fluorophenyl)cyclopropane-1-carboxylic acid

Standard CAS: 2055841-05-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2055841-05-7
Multi CAS
No
Molecular Formula
C12H13FO3
Molecular Weight
224.230000
Exact Mass
224.084872
SMILES
CCOC1=C(C=CC(=C1)[C@@H]2C[C@H]2C(=O)O)F
InChI
InChI=1S/C12H13FO3/c1-2-16-11-5-7(3-4-10(11)13)8-6-9(8)12(14)15/h3-5,8-9H,2,6H2,1H3,(H,14,15)/t8-,9+/m0/s1
InChIKey
SFPGDNUXEIEYEY-DTWKUNHWSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.05
TPSA
46.53

LogP / Solubility

WLOGP
2.41
MLOGP
2.13
XLogP3
2.1
Consensus LogP
2.21
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
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)
-2.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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