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CAS 914349-34-1 1-Boc-3-bromo-6-methylindole molecular structure lightbox
CAS RN: 914349-34-1

1-Boc-3-bromo-6-methylindole

  • Product code: SSC-204552
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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 914349-34-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

914349-34-1 / tert-butyl 3-bromo-6-methylindole-1-carboxylate

Standard CAS: 914349-34-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
914349-34-1
Multi CAS
No
Molecular Formula
BC14H16O2Rn
Molecular Weight
310.190000
Exact Mass
309.036440
InChI
InChI=1S/C14H16BrNO2/c1-9-5-6-10-11(15)8-16(12(10)7-9)13(17)18-14(2,3)4/h5-8H,1-4H3
InChIKey
AJHGZFDQDXXFHX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
76.01
TPSA
31.23

LogP / Solubility

WLOGP
4.5
MLOGP
3.97
XLogP3
4.3
Consensus LogP
4.26
Log S (ESOL)
-4.97
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.41
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
No
Log Kp (skin permeation)
-1.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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