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CAS 1312693-69-8 3H-Pyrrolo[3,4-c]pyridin-3-one, 4,6-dichloro-7-fluoro-1,2-dihydro- molecular structure lightbox
CAS RN: 1312693-69-8

3H-Pyrrolo[3,4-c]pyridin-3-one, 4,6-dichloro-7-fluoro-1,2-dihydro-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250421 250mg Out of stock 15 business days Inquiry
  • Product code: SSC-038021
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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: 0.25g
  • 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 1312693-69-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1312693-69-8 / 4,6-dichloro-7-fluoro-1,2-dihydropyrrolo[3,4-c]pyridin-3-one

Standard CAS: 1312693-69-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1312693-69-8
Multi CAS
No
Molecular Formula
C7H3Cl2FN2O
Molecular Weight
221.010000
Exact Mass
219.960646
SMILES
C1C2=C(C(=O)N1)C(=NC(=C2F)Cl)Cl
InChI
InChI=1S/C7H3Cl2FN2O/c8-5-3-2(1-11-7(3)13)4(10)6(9)12-5/h1H2,(H,11,13)
InChIKey
XDMWQSCKMZHECI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.39
TPSA
41.99

LogP / Solubility

WLOGP
1.77
MLOGP
1.56
XLogP3
1.7
Consensus LogP
1.68
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
Class (SILICOS-IT)
Moderately 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)
-2.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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