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CAS 1818847-70-9 methyl 6‐bromo‐1‐methyl‐2‐oxo‐2,3‐dihydro‐1H‐indole‐4‐carboxylate molecular structure lightbox
CAS RN: 1818847-70-9

methyl 6‐bromo‐1‐methyl‐2‐oxo‐2,3‐dihydro‐1H‐indole‐4‐carboxylate

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260330 1g In stock Shenzhen, Chengdu Inquiry
Batchno.20260218 250mg In stock Shenzhen, Tianjin Inquiry
Batchno.20260413 5g In stock Shenzhen Inquiry
  • Product code: SSC-082697
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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 1818847-70-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

1818847-70-9 / methyl 6-bromo-1-methyl-2-oxo-3H-indole-4-carboxylate

Standard CAS: 1818847-70-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1818847-70-9
Multi CAS
No
Molecular Formula
C11H10BrNO3
Molecular Weight
284.110000
Exact Mass
282.984410
SMILES
CN1C(=O)CC2=C(C=C(C=C21)Br)C(=O)OC
InChI
InChI=1S/C11H10BrNO3/c1-13-9-4-6(12)3-8(11(15)16-2)7(9)5-10(13)14/h3-4H,5H2,1-2H3
InChIKey
BYFDSFCWFJNDJL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
62.6
TPSA
46.61

LogP / Solubility

WLOGP
1.75
MLOGP
1.55
XLogP3
1.5
Consensus LogP
1.6
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.08
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.21

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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