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CAS 1260383-49-0 4-BroMo-2-Methyl-1H-indole-6-carboxylic acid Methyl ester molecular structure lightbox
CAS RN: 1260383-49-0

4-BroMo-2-Methyl-1H-indole-6-carboxylic acid Methyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251009 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-031571
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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: 0.25g
  • 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 1260383-49-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1260383-49-0 / methyl 4-bromo-2-methyl-1H-indole-6-carboxylate

Standard CAS: 1260383-49-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1260383-49-0
Multi CAS
No
Molecular Formula
C11H10BrNO2
Molecular Weight
268.110000
Exact Mass
266.989490
SMILES
CC1=CC2=C(N1)C=C(C=C2Br)C(=O)OC
InChI
InChI=1S/C11H10BrNO2/c1-6-3-8-9(12)4-7(11(14)15-2)5-10(8)13-6/h3-5,13H,1-2H3
InChIKey
WWISWWDVNPDLJC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
62.08
TPSA
42.09

LogP / Solubility

WLOGP
3.03
MLOGP
2.67
XLogP3
3
Consensus LogP
2.9
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.94
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
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)
-2.21

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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