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CAS 2043962-01-0 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-naphthol molecular structure lightbox
CAS RN: 2043962-01-0

4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-naphthol

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250801 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-096159
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2043962-01-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

2043962-01-0 / 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-ol

Standard CAS: 2043962-01-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2043962-01-0
Multi CAS
No
Molecular Formula
C16H19BO3
Molecular Weight
270.100000
Exact Mass
270.142725
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC3=CC=CC=C23)O
InChI
InChI=1S/C16H19BO3/c1-15(2)16(3,4)20-17(19-15)14-10-12(18)9-11-7-5-6-8-13(11)14/h5-10,18H,1-4H3
InChIKey
UFUZDGJITBGLLK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
10
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
81.33
TPSA
38.69

LogP / Solubility

WLOGP
2.84
MLOGP
2.51
XLogP3
2.84
Consensus LogP
2.73
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.9
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35

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
1.5

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