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CAS 5456-23-5 2-BROMODIETHYLACETIC ACID molecular structure lightbox
CAS RN: 5456-23-5

2-BROMODIETHYLACETIC ACID

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250520 1g In stock Inquiry
Batchno.20250913 25g In stock Inquiry
Batchno.20260417 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260516 1g / 5g / 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS5456-23-5
  • Purity/Analytical Methods: >99.0%
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5456-23-5 / 2-bromo-2-ethylbutanoic acid

Standard CAS: 5456-23-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5456-23-5
Multi CAS
Yes
Molecular Formula
C6H11BRO2
Molecular Weight
195.050000
Exact Mass
193.994240
InChI
InChI=1S/C6H11BrO2/c1-3-6(7,4-2)5(8)9/h3-4H2,1-2H3,(H,8,9)
InChIKey
CBRCMTPPRWRXJS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
39.88
TPSA
37.3

LogP / Solubility

WLOGP
2.02
MLOGP
1.78
XLogP3
2.2
Consensus LogP
2
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.97
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)
-2.47

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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