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CAS 61632-72-2 4-Bromobutylboronic acid molecular structure lightbox
CAS RN: 61632-72-2

4-Bromobutylboronic acid

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250208 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260115 100mg In stock Shanghai Inquiry
Batchno.20250329 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20260320 250mg In stock Shanghai Inquiry
Batchno.20251220 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS61632-72-2
  • Purity/Analytical Methods: >99.0%
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61632-72-2 / 4-bromobutylboronic acid

Standard CAS: 61632-72-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
61632-72-2
Multi CAS
No
Molecular Formula
C4H10BBRO2
Molecular Weight
180.840000
Exact Mass
179.995720
InChI
InChI=1S/C4H10BBrO2/c6-4-2-1-3-5(7)8/h7-8H,1-4H2
InChIKey
VYJXKSGBEKVCJK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
38.03
TPSA
40.46

LogP / Solubility

WLOGP
0.63
MLOGP
0.56
XLogP3
0.63
Consensus LogP
0.61
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
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)
-3.37

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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