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CAS 15345-55-8 1H-Indole-2,3-dione,7-chloro-4-methoxy- molecular structure lightbox
CAS RN: 15345-55-8

1H-Indole-2,3-dione,7-chloro-4-methoxy-

  • Product code: SSC-062920
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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: 1g, 0.1g, 0.25g, 5g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • 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 15345-55-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 3 In Stock Shanghai Inquiry
0.1g >97% 2 In Stock Shanghai Inquiry
0.25g >97% 2 In Stock Shenzhen Inquiry
5g >97% 2 In Stock Shenzhen Inquiry
10g >97% 2 In Stock Shanghai Inquiry

15345-55-8 / 7-chloro-4-methoxy-1H-indole-2,3-dione

Standard CAS: 15345-55-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
15345-55-8
Multi CAS
No
Molecular Formula
C9H6ClNO3
Molecular Weight
211.600000
Exact Mass
211.003621
SMILES
COC1=C2C(=C(C=C1)Cl)NC(=O)C2=O
InChI
InChI=1S/C9H6ClNO3/c1-14-5-3-2-4(10)7-6(5)8(12)9(13)11-7/h2-3H,1H3,(H,11,12,13)
InChIKey
DVVWQQZWRTXTMK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.96
TPSA
55.4

LogP / Solubility

WLOGP
1.48
MLOGP
1.31
XLogP3
1.3
Consensus LogP
1.36
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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