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CAS 1158503-82-2 Methyl 7-bromo-1H-indole-2-carboxylate molecular structure lightbox
CAS RN: 1158503-82-2

Methyl 7-bromo-1H-indole-2-carboxylate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250628 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-015594
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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 1158503-82-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1158503-82-2 / methyl 7-bromo-1H-indole-2-carboxylate

methyl 7-bromo-1H-indole-2-carboxylate | MFCD11111832 | 1H-Indole-2-carboxylic acid, 7-bromo-, methyl ester

Standard CAS: 1158503-82-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1158503-82-2
Multi CAS
No
Molecular Formula
C10H8BrNO2
Molecular Weight
254.080000
Exact Mass
252.973840
SMILES
COC(=O)C1=CC2=C(N1)C(=CC=C2)Br
InChI
InChI=1S/C10H8BrNO2/c1-14-10(13)8-5-6-3-2-4-7(11)9(6)12-8/h2-5,12H,1H3
InChIKey
CVBRWYSFWORSON-UHFFFAOYSA-N
Synonyms
methyl 7-bromo-1H-indole-2-carboxylate MFCD11111832 1H-Indole-2-carboxylic acid, 7-bromo-, methyl ester Methyl 7-Bromoindole-2-carboxylate Methyl7-bromo-1H-indole-2-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.34
TPSA
42.09

LogP / Solubility

WLOGP
2.72
MLOGP
2.4
XLogP3
3.1
Consensus LogP
2.74
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
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)
-2.34

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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