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CAS 1437769-82-8 2-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol molecular structure lightbox
CAS RN: 1437769-82-8

2-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250323 1g In stock Tianjin Inquiry
Batchno.20260201 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250414 5g Out of stock Inquiry
  • Product code: starshine_CAS1437769-82-8
  • Purity/Analytical Methods: >99.0%
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1437769-82-8 / 2-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

Standard CAS: 1437769-82-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1437769-82-8
Multi CAS
No
Molecular Formula
C13H19BO4
Molecular Weight
250.100000
Exact Mass
250.137639
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C(=CC=C2)OC)O
InChI
InChI=1S/C13H19BO4/c1-12(2)13(3,4)18-14(17-12)9-7-6-8-10(16-5)11(9)15/h6-8,15H,1-5H3
InChIKey
IRKDHCQUMBNYFG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
70.37
TPSA
47.92

LogP / Solubility

WLOGP
1.7
MLOGP
1.5
XLogP3
1.7
Consensus LogP
1.63
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
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
No
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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