![CAS 1092564-35-6 4-{[2-Methoxy-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbonyl}morpholine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1092564-35-6.gif)
CAS RN: 1092564-35-6
4-{[2-Methoxy-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbonyl}morpholine
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250603 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1092564-35-6
- Purity/Analytical Methods: >99.0%
1092564-35-6 / [2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-morpholin-4-ylmethanone
4-{[2-Methoxy-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbonyl}morpholine | MFCD27936083 | (2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)(morpholino)methanone
Basic Information
CAS
1092564-35-6
Multi CAS
No
Molecular Formula
C18H26BNO5
Molecular Weight
347.200000
Exact Mass
347.190403
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C(=O)N3CCOCC3)OC
InChI
InChI=1S/C18H26BNO5/c1-17(2)18(3,4)25-19(24-17)13-6-7-14(15(12-13)22-5)16(21)20-8-10-23-11-9-20/h6-7,12H,8-11H2,1-5H3
InChIKey
IBZJBGLUGBGSNJ-UHFFFAOYSA-N
Synonyms
4-{[2-Methoxy-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbonyl}morpholine
MFCD27936083
(2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)(morpholino)methanone
[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-morpholin-4-ylmethanone
[2-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-morpholinyl methanone
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
95.43
TPSA
57.23
LogP / Solubility
WLOGP
1.47
MLOGP
1.31
XLogP3
1.47
Consensus LogP
1.42
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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