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CAS 1092390-02-7 4-(Naphthalene-2-yl)phenylboronic acid pinacol ester molecular structure lightbox
CAS RN: 1092390-02-7

4-(Naphthalene-2-yl)phenylboronic acid pinacol ester

  • Product code: SSC-010426
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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: 10g
  • 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 1092390-02-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Beijing Inquiry

1092390-02-7 / 4,4,5,5-tetramethyl-2-(4-naphthalen-2-ylphenyl)-1,3,2-dioxaborolane

4,4,5,5-Tetramethyl-2-(4-(naphthalen-2-yl)phenyl)-1,3,2-dioxaborolane | 4-(NAPHTHALENE-2-YL)PHENYLBORONIC ACID PINACOL ESTER | 4,4,5,5-tetramethyl-2-(4-naphthalen-2-ylphenyl)-1,3,2-dioxaborolane

Standard CAS: 1092390-02-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1092390-02-7
Multi CAS
No
Molecular Formula
C22H23BO2
Molecular Weight
330.200000
Exact Mass
330.179110
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C22H23BO2/c1-21(2)22(3,4)25-23(24-21)20-13-11-17(12-14-20)19-10-9-16-7-5-6-8-18(16)15-19/h5-15H,1-4H3
InChIKey
ZSLFLUWKJNMNEH-UHFFFAOYSA-N
Synonyms
4,4,5,5-Tetramethyl-2-(4-(naphthalen-2-yl)phenyl)-1,3,2-dioxaborolane 4-(NAPHTHALENE-2-YL)PHENYLBORONIC ACID PINACOL ESTER 4,4,5,5-tetramethyl-2-(4-naphthalen-2-ylphenyl)-1,3,2-dioxaborolane MFCD09800562 CHEMBL1952313

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
16
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
105.1
TPSA
18.46

LogP / Solubility

WLOGP
4.81
MLOGP
4.24
XLogP3
4.81
Consensus LogP
4.62
Log S (ESOL)
-5.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.04
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.32

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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