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CAS 584-98-5 (S)-(-)-2-Bromosuccinic acid molecular structure lightbox
CAS RN: 584-98-5

(S)-(-)-2-Bromosuccinic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251210 100mg / 250mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS584-98-5
  • Purity/Analytical Methods: >99.0%
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584-98-5 / 2-bromobutanedioic acid

Standard CAS: 584-98-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
584-98-5
Multi CAS
Yes
Molecular Formula
C4H5BRO4
Molecular Weight
196.980000
Exact Mass
195.937120
InChI
InChI=1S/C4H5BrO4/c5-2(4(8)9)1-3(6)7/h2H,1H2,(H,6,7)(H,8,9)
InChIKey
QQWGVQWAEANRTK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
32.6
TPSA
74.6

LogP / Solubility

WLOGP
0.31
MLOGP
0.27
XLogP3
0.1
Consensus LogP
0.23
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
Class (SILICOS-IT)
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)
-3.7

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
2

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