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CAS 588720-12-1 Ethyl 6-bromopyrrolo[1,2-c]pyrimidine-3-carboxylate molecular structure lightbox
CAS RN: 588720-12-1

Ethyl 6-bromopyrrolo[1,2-c]pyrimidine-3-carboxylate

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260107 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250804 1g Out of stock Inquiry
Batchno.20250215 250mg In stock Shenzhen, Wuhan Inquiry
Batchno.20250306 50mg In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-167207
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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: ≥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 588720-12-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

588720-12-1 / ethyl 6-bromopyrrolo[1,2-c]pyrimidine-3-carboxylate

Standard CAS: 588720-12-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
588720-12-1
Multi CAS
Yes
Molecular Formula
BC10H9O2Rn2
Molecular Weight
269.090000
Exact Mass
267.984740
InChI
InChI=1S/C10H9BrN2O2/c1-2-15-10(14)9-4-8-3-7(11)5-13(8)6-12-9/h3-6H,2H2,1H3
InChIKey
RRKJEGMEYNSMNH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
58.85
TPSA
43.6

LogP / Solubility

WLOGP
2.27
MLOGP
2.01
XLogP3
3.1
Consensus LogP
2.46
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
Class (SILICOS-IT)
Poorly 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)
-2.75

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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