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CAS 24857-20-3 2,6-DICHLOROPHENOLINDOPHENYL ACETATE molecular structure lightbox
CAS RN: 24857-20-3

2,6-DICHLOROPHENOLINDOPHENYL ACETATE

  • Product code: SSC-119984
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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: 0.1g
  • 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 24857-20-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry

24857-20-3 / [3,5-dichloro-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl] acetate

Standard CAS: 24857-20-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24857-20-3
Multi CAS
No
Molecular Formula
C14H9Cl2NO3
Molecular Weight
310.100000
Exact Mass
308.995949
SMILES
CC(=O)OC1=CC(=C(C(=C1)Cl)N=C2C=CC(=O)C=C2)Cl
InChI
InChI=1S/C14H9Cl2NO3/c1-8(18)20-11-6-12(15)14(13(16)7-11)17-9-2-4-10(19)5-3-9/h2-7H,1H3
InChIKey
SLESHALQTWUMIJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
78.15
TPSA
55.73

LogP / Solubility

WLOGP
3.69
MLOGP
3.26
XLogP3
2.9
Consensus LogP
3.28
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.98
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.99

Drug-likeness / Medicinal Chemistry

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

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