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CAS 1065181-58-9 Ethyl 5-broMo-1H-indole-7-carboxylate molecular structure lightbox
CAS RN: 1065181-58-9

Ethyl 5-broMo-1H-indole-7-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251014 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-008158
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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 1065181-58-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

1065181-58-9 / ethyl 5-bromo-1H-indole-7-carboxylate

Ethyl 5-bromo-1H-indole-7-carboxylate | MFCD21608002 | Ethyl5-bromo-1H-indole-7-carboxylate

Standard CAS: 1065181-58-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1065181-58-9
Multi CAS
Yes
Molecular Formula
C11H10BrNO2
Molecular Weight
268.110000
Exact Mass
266.989490
SMILES
CCOC(=O)C1=C2C(=CC(=C1)Br)C=CN2
InChI
InChI=1S/C11H10BrNO2/c1-2-15-11(14)9-6-8(12)5-7-3-4-13-10(7)9/h3-6,13H,2H2,1H3
InChIKey
YVPFHVKOHMYAHB-UHFFFAOYSA-N
Synonyms
Ethyl 5-bromo-1H-indole-7-carboxylate MFCD21608002 Ethyl5-bromo-1H-indole-7-carboxylate SCHEMBL618995 DTXSID00731544

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.96
TPSA
42.09

LogP / Solubility

WLOGP
3.11
MLOGP
2.74
XLogP3
3
Consensus LogP
2.95
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.22
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.15

Drug-likeness / Medicinal Chemistry

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

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