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CAS 1093341-40-2 2,2-difluoro-2-(quinolin-6-yl)acetic acid molecular structure lightbox
CAS RN: 1093341-40-2

2,2-difluoro-2-(quinolin-6-yl)acetic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250503 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-010597
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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 1093341-40-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1093341-40-2 / 2,2-difluoro-2-quinolin-6-ylacetic acid

2,2-difluoro-2-(quinolin-6-yl)acetic acid | 2,2-difluoro-2-(quinolin-6-yl)aceticacid | MFCD19688050

Standard CAS: 1093341-40-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1093341-40-2
Multi CAS
No
Molecular Formula
C11H7F2NO2
Molecular Weight
223.170000
Exact Mass
223.044485
SMILES
C1=CC2=C(C=CC(=C2)C(C(=O)O)(F)F)N=C1
InChI
InChI=1S/C11H7F2NO2/c12-11(13,10(15)16)8-3-4-9-7(6-8)2-1-5-14-9/h1-6H,(H,15,16)
InChIKey
XPNFHEBOISKYGR-UHFFFAOYSA-N
Synonyms
2,2-difluoro-2-(quinolin-6-yl)acetic acid 2,2-difluoro-2-(quinolin-6-yl)aceticacid MFCD19688050 2,2-difluoro-2-(6-quinolyl)acetic acid SCHEMBL2698205

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.27
TPSA
50.19

LogP / Solubility

WLOGP
2.41
MLOGP
2.12
XLogP3
2.4
Consensus LogP
2.31
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
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
1.5

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