CAS RN: 1430474-30-8
Pinacol 4-cyclohexylaminophenylboronic 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 | Inquiry |
|---|---|---|---|---|
| Batchno.20251022 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: LINP905458
1430474-30-8 / N-cyclohexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
Basic Information
CAS
1430474-30-8
Multi CAS
No
Molecular Formula
C18H28BNO2
Molecular Weight
301.200000
Exact Mass
301.221309
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)NC3CCCCC3
InChI
InChI=1S/C18H28BNO2/c1-17(2)18(3,4)22-19(21-17)14-10-12-16(13-11-14)20-15-8-6-5-7-9-15/h10-13,15,20H,5-9H2,1-4H3
InChIKey
VIXSWZLRMUSPFT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
92.65
TPSA
30.49
LogP / Solubility
WLOGP
3.73
MLOGP
3.29
XLogP3
3.73
Consensus LogP
3.58
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.07
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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