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CAS 1090903-89-1 Methyl 6-bromo-1-methyl-1H-indole-4-carboxylate molecular structure lightbox
CAS RN: 1090903-89-1

Methyl 6-bromo-1-methyl-1H-indole-4-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260412 250mg / 1g / 5g Out of stock 15 business days Inquiry
  • Product code: SSC-010241
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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: 5g
  • 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 1090903-89-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

1090903-89-1 / methyl 6-bromo-1-methylindole-4-carboxylate

Methyl 6-bromo-1-methyl-1H-indole-4-carboxylate | Methyl 6-bromo-1-methyl-indole-4-carboxylate | MFCD28641837

Standard CAS: 1090903-89-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1090903-89-1
Multi CAS
No
Molecular Formula
C11H10BrNO2
Molecular Weight
268.110000
Exact Mass
266.989490
SMILES
CN1C=CC2=C(C=C(C=C21)Br)C(=O)OC
InChI
InChI=1S/C11H10BrNO2/c1-13-4-3-8-9(11(14)15-2)5-7(12)6-10(8)13/h3-6H,1-2H3
InChIKey
XKKFXYZBTHKXGB-UHFFFAOYSA-N
Synonyms
Methyl 6-bromo-1-methyl-1H-indole-4-carboxylate Methyl 6-bromo-1-methyl-indole-4-carboxylate MFCD28641837 methyl 6-bromo-1-methylindole-4-carboxylate SCHEMBL8123451

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
61.96
TPSA
31.23

LogP / Solubility

WLOGP
2.73
MLOGP
2.41
XLogP3
2.5
Consensus LogP
2.55
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.79
Class (SILICOS-IT)
Poorly 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)
-2.42

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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