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CAS 1704067-45-7 2-Morpholino-1-(5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)indolin-1-yl)ethanone molecular structure lightbox
CAS RN: 1704067-45-7

2-Morpholino-1-(5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)indolin-1-yl)ethanone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251124 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1704067-45-7
  • Purity/Analytical Methods: >99.0%
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1704067-45-7 / 2-morpholin-4-yl-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindol-1-yl]ethanone

Standard CAS: 1704067-45-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1704067-45-7
Multi CAS
No
Molecular Formula
C20H29BN2O4
Molecular Weight
372.300000
Exact Mass
372.222038
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N(CC3)C(=O)CN4CCOCC4
InChI
InChI=1S/C20H29BN2O4/c1-19(2)20(3,4)27-21(26-19)16-5-6-17-15(13-16)7-8-23(17)18(24)14-22-9-11-25-12-10-22/h5-6,13H,7-12,14H2,1-4H3
InChIKey
SVYLPAXRGCMJGQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
105.47
TPSA
51.24

LogP / Solubility

WLOGP
1.21
MLOGP
1.08
XLogP3
1.21
Consensus LogP
1.17
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
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)
-4.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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