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CAS 887587-50-0 6-BROMO-4-CHLORO-QUINOLINE-2-CARBOXYLIC ACID METHYL ESTER molecular structure lightbox
CAS RN: 887587-50-0

6-BROMO-4-CHLORO-QUINOLINE-2-CARBOXYLIC ACID METHYL ESTER

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250710 1g In stock Shanghai Inquiry
Batchno.20251202 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-200383
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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 887587-50-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

887587-50-0 / methyl 6-bromo-4-chloroquinoline-2-carboxylate

Standard CAS: 887587-50-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
887587-50-0
Multi CAS
No
Molecular Formula
C11H7BRCLNO2
Molecular Weight
300.530000
Exact Mass
298.934870
InChI
InChI=1S/C11H7BrClNO2/c1-16-11(15)10-5-8(13)7-4-6(12)2-3-9(7)14-10/h2-5H,1H3
InChIKey
RHNVVFWLYMUZOZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
65.79
TPSA
39.19

LogP / Solubility

WLOGP
3.44
MLOGP
3.04
XLogP3
3.7
Consensus LogP
3.39
Log S (ESOL)
-4.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.59
Class (SILICOS-IT)
Slightly 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)
-2.11

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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