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CAS 335649-61-1 5-(TERT-BUTYLDIMETHYLSILYLOXY)-1H-INDOLE-2-BORONIC ACID, N-BOC PROTECTED 98 molecular structure lightbox
CAS RN: 335649-61-1

5-(TERT-BUTYLDIMETHYLSILYLOXY)-1H-INDOLE-2-BORONIC ACID, N-BOC PROTECTED 98

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251218 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-139717
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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 335649-61-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

335649-61-1 / [5-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid

Standard CAS: 335649-61-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
335649-61-1
Multi CAS
No
Molecular Formula
BC19H30NO5Si
Molecular Weight
391.300000
Exact Mass
391.198630
InChI
InChI=1S/C19H30BNO5Si/c1-18(2,3)25-17(22)21-15-10-9-14(26-27(7,8)19(4,5)6)11-13(15)12-16(21)20(23)24/h9-12,23-24H,1-8H3
InChIKey
NXKIUYOUKLIWLP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
9
Fraction Csp3
0.53
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
111.22
TPSA
80.92

LogP / Solubility

WLOGP
3.49
MLOGP
3.09
XLogP3
3.49
Consensus LogP
3.36
Log S (ESOL)
-4.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.46
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.63

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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