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CAS 600-35-1 3,3-Dibromo-2-oxopropanoic acid molecular structure lightbox
CAS RN: 600-35-1

3,3-Dibromo-2-oxopropanoic acid

  • Product code: SSC-168582
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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 600-35-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

600-35-1 / 3,3-dibromo-2-oxopropanoic acid

Standard CAS: 600-35-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
600-35-1
Multi CAS
Yes
Molecular Formula
C3H2BR2O3
Molecular Weight
245.850000
Exact Mass
245.835020
InChI
InChI=1S/C3H2Br2O3/c4-2(5)1(6)3(7)8/h2H,(H,7,8)
InChIKey
UPWSEHPIDUSFRO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
34.28
TPSA
54.37

LogP / Solubility

WLOGP
0.76
MLOGP
0.67
XLogP3
1.4
Consensus LogP
0.94
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
Class (SILICOS-IT)
Moderately 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)
-3.68

Drug-likeness / Medicinal Chemistry

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

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