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CAS 1256360-00-5 1-Boc-6-methoxyindole-3-boronic acid pinacol ester molecular structure lightbox
CAS RN: 1256360-00-5

1-Boc-6-methoxyindole-3-boronic acid pinacol ester

  • Product code: SSC-030470
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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: ≥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 1256360-00-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1256360-00-5 / tert-butyl 6-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate

Standard CAS: 1256360-00-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1256360-00-5
Multi CAS
No
Molecular Formula
C20H28BNO5
Molecular Weight
373.300000
Exact Mass
373.206053
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(C3=C2C=CC(=C3)OC)C(=O)OC(C)(C)C
InChI
InChI=1S/C20H28BNO5/c1-18(2,3)25-17(23)22-12-15(14-10-9-13(24-8)11-16(14)22)21-26-19(4,5)20(6,7)27-21/h9-12H,1-8H3
InChIKey
NEVYMHCTIQBRQU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
9
Fraction Csp3
0.55
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
105.84
TPSA
58.92

LogP / Solubility

WLOGP
3.73
MLOGP
3.31
XLogP3
3.73
Consensus LogP
3.59
Log S (ESOL)
-4.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.42
Class (SILICOS-IT)
Slightly soluble

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
Yes
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
No
Synthetic Accessibility
2.5

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