CAS RN: 148562-12-3
6-BroMohexylboronic acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250731 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: LINB921548
148562-12-3 / 6-bromohexylboronic acid
Basic Information
CAS
148562-12-3
Multi CAS
No
Molecular Formula
C6H14BBrO2
Molecular Weight
208.890000
Exact Mass
208.027020
SMILES
B(CCCCCCBr)(O)O
InChI
InChI=1S/C6H14BBrO2/c8-6-4-2-1-3-5-7(9)10/h9-10H,1-6H2
InChIKey
BGHGWFMYADQHHC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
47.26
TPSA
40.46
LogP / Solubility
WLOGP
1.41
MLOGP
1.25
XLogP3
1.41
Consensus LogP
1.36
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
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)
-2.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
