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CAS 30933-69-8 ETHYL 4-BROMO-5-METHOXY-1H-INDOLE-2-CARBOXYLATE molecular structure lightbox
CAS RN: 30933-69-8

ETHYL 4-BROMO-5-METHOXY-1H-INDOLE-2-CARBOXYLATE

  • Product code: SSC-136074
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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 30933-69-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

30933-69-8 / ethyl 4-bromo-5-methoxy-1H-indole-2-carboxylate

Standard CAS: 30933-69-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
30933-69-8
Multi CAS
No
Molecular Formula
BC12H12O3Rn
Molecular Weight
298.130000
Exact Mass
297.000060
InChI
InChI=1S/C12H12BrNO3/c1-3-17-12(15)9-6-7-8(14-9)4-5-10(16-2)11(7)13/h4-6,14H,3H2,1-2H3
InChIKey
NBTXRPQZVZUOGD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.51
TPSA
51.32

LogP / Solubility

WLOGP
3.12
MLOGP
2.75
XLogP3
3.3
Consensus LogP
3.06
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.54
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)
-2.33

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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