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CAS 912772-91-9 1-(3-AMINO-2,6-DICHLOROPYRIDIN-4-YL)ETHANONE molecular structure lightbox
CAS RN: 912772-91-9

1-(3-AMINO-2,6-DICHLOROPYRIDIN-4-YL)ETHANONE

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251019 100mg In stock Shanghai Inquiry
Batchno.20250716 1g Out of stock Inquiry
Batchno.20260425 250mg In stock Shanghai Inquiry
  • Product code: SSC-204210
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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: ≥98%
  • 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 912772-91-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shenzhen Inquiry

912772-91-9 / 1-(3-amino-2,6-dichloro-4-pyridinyl)ethanone

Standard CAS: 912772-91-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
912772-91-9
Multi CAS
No
Molecular Formula
C7H6CL2N2O
Molecular Weight
205.040000
Exact Mass
203.985718
InChI
InChI=1S/C7H6Cl2N2O/c1-3(12)4-2-5(8)11-7(9)6(4)10/h2H,10H2,1H3
InChIKey
VASUBHNCBPDOPI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.67
TPSA
55.98

LogP / Solubility

WLOGP
2.17
MLOGP
1.91
XLogP3
2.3
Consensus LogP
2.13
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
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)
-2.43

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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