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CAS 1072812-23-7 7-BROMO-1H-INDOLE-2-BORONIC ACID PINACOL ESTER molecular structure lightbox
CAS RN: 1072812-23-7

7-BROMO-1H-INDOLE-2-BORONIC ACID PINACOL ESTER

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250603 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-008743
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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: 5g
  • 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 1072812-23-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

1072812-23-7 / 7-bromo-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

7-Bromo-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole | 7-BROMOINDOLE-2-BORONIC ACID PINACOL ESTER | 7-BROMO-1H-INDOLE-2-BORONIC ACID PINACOL ESTER

Standard CAS: 1072812-23-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1072812-23-7
Multi CAS
Yes
Molecular Formula
C14H17BBrNO2
Molecular Weight
322.010000
Exact Mass
321.053570
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(N2)C(=CC=C3)Br
InChI
InChI=1S/C14H17BBrNO2/c1-13(2)14(3,4)19-15(18-13)11-8-9-6-5-7-10(16)12(9)17-11/h5-8,17H,1-4H3
InChIKey
KGWJGQUTNNLURY-UHFFFAOYSA-N
Synonyms
7-Bromo-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole 7-BROMOINDOLE-2-BORONIC ACID PINACOL ESTER 7-BROMO-1H-INDOLE-2-BORONIC ACID PINACOL ESTER MFCD11858379 SCHEMBL595477

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
81.71
TPSA
34.25

LogP / Solubility

WLOGP
3.23
MLOGP
2.86
XLogP3
3.23
Consensus LogP
3.11
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.55
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)
-2.39

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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