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CAS 1208087-79-9 8-Bromo-6-chloro-imidazo[1,2-b]pyridazine-2-carboxylic acid ethyl ester molecular structure lightbox
CAS RN: 1208087-79-9

8-Bromo-6-chloro-imidazo[1,2-b]pyridazine-2-carboxylic acid ethyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251018 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-022158
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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: ＞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 1208087-79-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shanghai Inquiry

1208087-79-9 / ethyl 8-bromo-6-chloroimidazo[1,2-b]pyridazine-2-carboxylate

ethyl 8-bromo-6-chloroimidazo[1,2-b]pyridazine-2-carboxylate | MFCD11975606 | 8-Bromo-6-chloro-imidazo[1,2-b]pyridazine-2-carboxylic acid ethyl ester

Standard CAS: 1208087-79-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1208087-79-9
Multi CAS
No
Molecular Formula
C9H7BrClN3O2
Molecular Weight
304.530000
Exact Mass
302.941020
SMILES
CCOC(=O)C1=CN2C(=N1)C(=CC(=N2)Cl)Br
InChI
InChI=1S/C9H7BrClN3O2/c1-2-16-9(15)6-4-14-8(12-6)5(10)3-7(11)13-14/h3-4H,2H2,1H3
InChIKey
NHORKGPBKKWTGJ-UHFFFAOYSA-N
Synonyms
ethyl 8-bromo-6-chloroimidazo[1,2-b]pyridazine-2-carboxylate MFCD11975606 8-Bromo-6-chloro-imidazo[1,2-b]pyridazine-2-carboxylic acid ethyl ester 8-Bromo-6-chloroimidazo[1,2-b]pyridazine-2-carboxylic acid ethyl ester SCHEMBL16278723

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
61.65
TPSA
56.49

LogP / Solubility

WLOGP
2.32
MLOGP
2.06
XLogP3
2.5
Consensus LogP
2.29
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.93

Drug-likeness / Medicinal Chemistry

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

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