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CAS 910462-33-8 4-(3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)propyl)morpholine molecular structure lightbox
CAS RN: 910462-33-8

4-(3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)propyl)morpholine

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250414 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS910462-33-8
  • Purity/Analytical Methods: >99.0%
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910462-33-8 / 4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propyl]morpholine

Standard CAS: 910462-33-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
910462-33-8
Multi CAS
Yes
Molecular Formula
BC19H30NO4
Molecular Weight
347.300000
Exact Mass
347.226789
InChI
InChI=1S/C19H30BNO4/c1-18(2)19(3,4)25-20(24-18)16-6-8-17(9-7-16)23-13-5-10-21-11-14-22-15-12-21/h6-9H,5,10-15H2,1-4H3
InChIKey
CNKVMMVQJAQTCV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.68
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
99.53
TPSA
40.16

LogP / Solubility

WLOGP
2.09
MLOGP
1.85
XLogP3
2.09
Consensus LogP
2.01
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.37
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.36

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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