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CAS 1196153-95-3 ethyl 7-bromoquinoline-2-carboxylate molecular structure lightbox
CAS RN: 1196153-95-3

ethyl 7-bromoquinoline-2-carboxylate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250620 250mg / 500mg / 1g / 5g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-020230
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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 1196153-95-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1196153-95-3 / ethyl 7-bromoquinoline-2-carboxylate

ETHYL 7-BROMOQUINOLINE-2-CARBOXYLATE | MFCD13190201 | AKOS027344662

Standard CAS: 1196153-95-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1196153-95-3
Multi CAS
No
Molecular Formula
C12H10BrNO2
Molecular Weight
280.120000
Exact Mass
278.989490
SMILES
CCOC(=O)C1=NC2=C(C=CC(=C2)Br)C=C1
InChI
InChI=1S/C12H10BrNO2/c1-2-16-12(15)10-6-4-8-3-5-9(13)7-11(8)14-10/h3-7H,2H2,1H3
InChIKey
PNHCOXORTDQDFE-UHFFFAOYSA-N
Synonyms
ETHYL 7-BROMOQUINOLINE-2-CARBOXYLATE MFCD13190201 AKOS027344662 Ethyl 7-bromoquinoline-2-carboxyl ate AB69956

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
65.4
TPSA
39.19

LogP / Solubility

WLOGP
3.17
MLOGP
2.8
XLogP3
3.4
Consensus LogP
3.12
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.36
Class (SILICOS-IT)
Slightly 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)
-2.18

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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