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CAS 99607-70-2 Cloquintocet-mexyl molecular structure lightbox
CAS RN: 99607-70-2

Cloquintocet-mexyl

  • Product code: SSC-213273
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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, 5g, 10g, 25g, 100g
  • Available purity: ≥98%
  • 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 99607-70-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 5 In Stock Beijing Inquiry
5g ≥98% 5 In Stock Shanghai Inquiry
10g ≥98% 5 In Stock Beijing Inquiry
25g ≥98% 5 In Stock Beijing Inquiry
100g ≥98% 1 In Stock Shenzhen Inquiry

99607-70-2 / heptan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate

Standard CAS: 99607-70-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
99607-70-2
Multi CAS
Yes
Molecular Formula
C18H22CLNO3
Molecular Weight
335.800000
Exact Mass
335.128821
InChI
InChI=1S/C18H22ClNO3/c1-3-4-5-7-13(2)23-17(21)12-22-16-10-9-15(19)14-8-6-11-20-18(14)16/h6,8-11,13H,3-5,7,12H2,1-2H3
InChIKey
COYBRKAVBMYYSF-UHFFFAOYSA-N

Physical Properties

Physical Description
Other Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
10
Fraction Csp3
0.44
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
91.94
TPSA
48.42

LogP / Solubility

WLOGP
4.78
MLOGP
4.22
XLogP3
5.5
Consensus LogP
4.83
Log S (ESOL)
-4.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.77
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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