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CAS 317830-84-5 1-(TERT-BUTOXYCARBONYL)-1H-INDOL-5-YLBORONIC ACID molecular structure lightbox
CAS RN: 317830-84-5

1-(TERT-BUTOXYCARBONYL)-1H-INDOL-5-YLBORONIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260506 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-137217
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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 317830-84-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

317830-84-5 / [1-[(2-methylpropan-2-yl)oxycarbonyl]indol-5-yl]boronic acid

Standard CAS: 317830-84-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
317830-84-5
Multi CAS
No
Molecular Formula
BC13H16NO4
Molecular Weight
261.080000
Exact Mass
261.117238
InChI
InChI=1S/C13H16BNO4/c1-13(2,3)19-12(16)15-7-6-9-8-10(14(17)18)4-5-11(9)15/h4-8,17-18H,1-3H3
InChIKey
LMSHKSBYXDUUBM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.31
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
73.4
TPSA
71.69

LogP / Solubility

WLOGP
1.1
MLOGP
0.98
XLogP3
1.1
Consensus LogP
1.06
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.53

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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