CAS RN: 1704063-95-5
4-fluoro-3-(morpholinomethyl)phenylboronic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251125 | 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1704063-95-5
- Purity/Analytical Methods: >99.0%
1704063-95-5 / [4-fluoro-3-(morpholin-4-ylmethyl)phenyl]boronic acid
Basic Information
CAS
1704063-95-5
Multi CAS
No
Molecular Formula
C11H15BFNO3
Molecular Weight
239.050000
Exact Mass
239.112902
SMILES
B(C1=CC(=C(C=C1)F)CN2CCOCC2)(O)O
InChI
InChI=1S/C11H15BFNO3/c13-11-2-1-10(12(15)16)7-9(11)8-14-3-5-17-6-4-14/h1-2,7,15-16H,3-6,8H2
InChIKey
GHABZEPGSYBSSW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
62.32
TPSA
52.93
LogP / Solubility
WLOGP
-0.66
MLOGP
-0.58
XLogP3
-0.66
Consensus LogP
-0.63
Log S (ESOL)
-0.97
Class (ESOL)
Very soluble
Log S (Ali)
-1.04
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.02
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
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)
-4.65
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
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