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CAS 1375067-54-1 CID 134085954 molecular structure lightbox
CAS RN: 1375067-54-1

CID 134085954

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260417 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-047183
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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: ≥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 1375067-54-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

1375067-54-1 / tert-butyl 6-bromo-1H-indole-2-carboxylate

Standard CAS: 1375067-54-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1375067-54-1
Multi CAS
No
Molecular Formula
C13H14BrNO2
Molecular Weight
296.160000
Exact Mass
295.020790
SMILES
CC(C)(C)OC(=O)C1=CC2=C(N1)C=C(C=C2)Br
InChI
InChI=1S/C13H14BrNO2/c1-13(2,3)17-12(16)11-6-8-4-5-9(14)7-10(8)15-11/h4-7,15H,1-3H3
InChIKey
XZGVAXMYRSGAQU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.31
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
71.17
TPSA
42.09

LogP / Solubility

WLOGP
3.89
MLOGP
3.43
XLogP3
3.9
Consensus LogP
3.74
Log S (ESOL)
-4.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.93
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
No
Log Kp (skin permeation)
-1.77

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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