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CAS 1090903-69-7 methyl 6‐bromo‐2‐oxo‐2,3‐dihydro‐1h‐indole‐4‐carboxylate molecular structure lightbox
CAS RN: 1090903-69-7

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

  • Product code: SSC-010240
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1090903-69-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Hong Kong Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
1g >97% 1 In Stock Beijing Inquiry
5g >97% 1 In Stock Hong Kong Inquiry

1090903-69-7 / methyl 6-bromo-2-oxo-1,3-dihydroindole-4-carboxylate

Methyl 6-bromo-2-oxoindoline-4-carboxylate | methyl 6-bromo-2-oxo-2,3-dihydro-1h-indole-4-carboxylate | Methyl 6-bromo-2-oxo-indoline-4-carboxylate

Standard CAS: 1090903-69-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1090903-69-7
Multi CAS
No
Molecular Formula
C10H8BrNO3
Molecular Weight
270.080000
Exact Mass
268.968760
SMILES
COC(=O)C1=C2CC(=O)NC2=CC(=C1)Br
InChI
InChI=1S/C10H8BrNO3/c1-15-10(14)7-2-5(11)3-8-6(7)4-9(13)12-8/h2-3H,4H2,1H3,(H,12,13)
InChIKey
CPVGDRPQDRGFKS-UHFFFAOYSA-N
Synonyms
Methyl 6-bromo-2-oxoindoline-4-carboxylate methyl 6-bromo-2-oxo-2,3-dihydro-1h-indole-4-carboxylate Methyl 6-bromo-2-oxo-indoline-4-carboxylate MFCD26744232 methyl 6-bromo-2-oxo-1,3-dihydroindole-4-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.82
TPSA
55.4

LogP / Solubility

WLOGP
1.73
MLOGP
1.53
XLogP3
1.3
Consensus LogP
1.52
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.97
Class (SILICOS-IT)
Moderately 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)
-3.14

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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