CAS RN: 1449131-89-8
(2-fluoro-4-(4-Methylpiperidine-1-carbonyl)phenyl)boronic acid
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250416 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1449131-89-8
- Purity/Analytical Methods: >99.0%
1449131-89-8 / [2-fluoro-4-(4-methylpiperidine-1-carbonyl)phenyl]boronic acid
Basic Information
CAS
1449131-89-8
Multi CAS
No
Molecular Formula
C13H17BFNO3
Molecular Weight
265.090000
Exact Mass
265.128552
SMILES
B(C1=C(C=C(C=C1)C(=O)N2CCC(CC2)C)F)(O)O
InChI
InChI=1S/C13H17BFNO3/c1-9-4-6-16(7-5-9)13(17)10-2-3-11(14(18)19)12(15)8-10/h2-3,8-9,18-19H,4-7H2,1H3
InChIKey
LNTNIPBCDHBXKY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
70.53
TPSA
60.77
LogP / Solubility
WLOGP
0.38
MLOGP
0.34
XLogP3
0.38
Consensus LogP
0.37
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.94
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)
-4.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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