CAS RN: 1228182-92-0
3-Methoxy-4-(Morpholin-4-yl)phenylboronic acid
- Product code: SSC-026337
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
1228182-92-0 / (3-methoxy-4-morpholin-4-ylphenyl)boronic acid
Basic Information
CAS
1228182-92-0
Multi CAS
No
Molecular Formula
C11H16BNO4
Molecular Weight
237.060000
Exact Mass
237.117238
SMILES
B(C1=CC(=C(C=C1)N2CCOCC2)OC)(O)O
InChI
InChI=1S/C11H16BNO4/c1-16-11-8-9(12(14)15)2-3-10(11)13-4-6-17-7-5-13/h2-3,8,14-15H,4-7H2,1H3
InChIKey
UCXBEBDWDXBCJU-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
5
H-bond donors
2
Molar refractivity
65.85
TPSA
62.16
LogP / Solubility
WLOGP
-0.79
MLOGP
-0.69
XLogP3
-0.79
Consensus LogP
-0.76
Log S (ESOL)
-0.88
Class (ESOL)
Very soluble
Log S (Ali)
-0.93
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.91
Class (SILICOS-IT)
Very 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)
-4.73
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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