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CAS 631-22-1 DIETHYL DIBROMOMALONATE molecular structure lightbox
CAS RN: 631-22-1

DIETHYL DIBROMOMALONATE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251123 5g / 25g / 100g Out of stock 8-10 business days Inquiry
  • Product code: SSC-172643
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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: 100g
  • 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 631-22-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Beijing Inquiry

631-22-1 / diethyl 2,2-dibromopropanedioate

Standard CAS: 631-22-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
631-22-1
Multi CAS
Yes
Molecular Formula
C7H10BR2O4
Molecular Weight
317.960000
Exact Mass
317.892530
InChI
InChI=1S/C7H10Br2O4/c1-3-12-5(10)7(8,9)6(11)13-4-2/h3-4H2,1-2H3
InChIKey
PFZYFZRUPFUEOB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.71
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
53.85
TPSA
52.6

LogP / Solubility

WLOGP
1.6
MLOGP
1.42
XLogP3
2.4
Consensus LogP
1.81
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
Class (SILICOS-IT)
Poorly 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)
-3.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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