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CAS 1190314-85-2 5-Fluoro-1H-pyrrolo[2,3-b… molecular structure lightbox
CAS RN: 1190314-85-2

5-Fluoro-1H-pyrrolo[2,3-b…

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251011 1g In stock Inquiry
Batchno.20250211 250mg In stock Inquiry
Batchno.20251228 50mg In stock Inquiry
  • Product code: SSC-019358
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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: ＞97%
  • 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 1190314-85-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1190314-85-2 / 5-fluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

5-Fluoro-1H-pyrrolo[2,3-b]pyridin-2(3H)-one | 5-fluoro-1H,2H,3H-pyrrolo[2,3-b]pyridin-2-one | MFCD12962798

Standard CAS: 1190314-85-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1190314-85-2
Multi CAS
No
Molecular Formula
C7H5FN2O
Molecular Weight
152.130000
Exact Mass
152.038591
SMILES
C1C2=C(NC1=O)N=CC(=C2)F
InChI
InChI=1S/C7H5FN2O/c8-5-1-4-2-6(11)10-7(4)9-3-5/h1,3H,2H2,(H,9,10,11)
InChIKey
LXKVLRLIJKXICE-UHFFFAOYSA-N
Synonyms
5-Fluoro-1H-pyrrolo[2,3-b]pyridin-2(3H)-one 5-fluoro-1H,2H,3H-pyrrolo[2,3-b]pyridin-2-one MFCD12962798 5-fluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one 2H-Pyrrolo[2,3-b]pyridin-2-one, 5-fluoro-1,3-dihydro-

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
1
Molar refractivity
36.53
TPSA
41.99

LogP / Solubility

WLOGP
0.72
MLOGP
0.62
XLogP3
0.1
Consensus LogP
0.48
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-1.32
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.24
Class (SILICOS-IT)
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)
-3.14

Drug-likeness / Medicinal Chemistry

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

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