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CAS 1021918-86-4 1H-BenziMidazole-1-carboxylic acid, 5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-diMethylethyl ester molecular structure lightbox
CAS RN: 1021918-86-4

1H-BenziMidazole-1-carboxylic acid, 5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-diMethylethyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260314 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-003462
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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: 1g
  • Available purity: ＞97%
  • 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 1021918-86-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1021918-86-4 / tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole-1-carboxylate

tert-Butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[d]imidazole-1-carboxylate | MFCD24038762 | tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole-1-carboxylate

Standard CAS: 1021918-86-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1021918-86-4
Multi CAS
No
Molecular Formula
C18H25BN2O4
Molecular Weight
344.200000
Exact Mass
344.190737
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N(C=N3)C(=O)OC(C)(C)C
InChI
InChI=1S/C18H25BN2O4/c1-16(2,3)23-15(22)21-11-20-13-10-12(8-9-14(13)21)19-24-17(4,5)18(6,7)25-19/h8-11H,1-7H3
InChIKey
RPBPVRDAROETEF-UHFFFAOYSA-N
Synonyms
tert-Butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[d]imidazole-1-carboxylate MFCD24038762 tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole-1-carboxylate 1H-BenziMidazole-1-carboxylic acid, 5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-diMethylethyl ester 1-Boc-5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzoimidazole

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
9
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
6
Molar refractivity
97.08
TPSA
62.58

LogP / Solubility

WLOGP
3.12
MLOGP
2.76
XLogP3
3.12
Consensus LogP
3
Log S (ESOL)
-4.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.61
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.61

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
2.5

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