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CAS 730949-78-7 (5-CHLORO-7-IODO-QUINOLIN-8-YLOXY)-ACETIC ACID molecular structure lightbox
CAS RN: 730949-78-7

(5-CHLORO-7-IODO-QUINOLIN-8-YLOXY)-ACETIC ACID

  • Product code: SSC-182532
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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 730949-78-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

730949-78-7 / 2-(5-chloro-7-iodoquinolin-8-yl)oxyacetic acid

Standard CAS: 730949-78-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
730949-78-7
Multi CAS
No
Molecular Formula
C12H7LiNO3
Molecular Weight
363.530000
Exact Mass
362.915920
InChI
InChI=1S/C11H7ClINO3/c12-7-4-8(13)11(17-5-9(15)16)10-6(7)2-1-3-14-10/h1-4H,5H2,(H,15,16)
InChIKey
XLKWXKFEMAQBTO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
72.6
TPSA
59.42

LogP / Solubility

WLOGP
2.96
MLOGP
2.62
XLogP3
3
Consensus LogP
2.86
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.84
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.84

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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