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CAS 2377610-89-2 8-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine molecular structure lightbox
CAS RN: 2377610-89-2

8-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250816 100mg / 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2377610-89-2
  • Purity/Analytical Methods: >99.0%
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2377610-89-2 / 8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine

Standard CAS: 2377610-89-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2377610-89-2
Multi CAS
No
Molecular Formula
C14H20BNO3
Molecular Weight
261.130000
Exact Mass
261.153624
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C(=CC=C2)NCCO3
InChI
InChI=1S/C14H20BNO3/c1-13(2)14(3,4)19-15(18-13)10-6-5-7-11-12(10)17-9-8-16-11/h5-7,16H,8-9H2,1-4H3
InChIKey
GUZBXUVAGZKKGD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
76.14
TPSA
39.72

LogP / Solubility

WLOGP
1.79
MLOGP
1.58
XLogP3
1.79
Consensus LogP
1.72
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
Class (SILICOS-IT)
Moderately 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)
-3.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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