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CAS 352439-08-8 2,4,6-TRICHLOROANISOLE-D5 molecular structure lightbox
CAS RN: 352439-08-8

2,4,6-TRICHLOROANISOLE-D5

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260514 50mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS352439-08-8
  • Purity/Analytical Methods: >99.0%
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352439-08-8 / 1,3,5-trichloro-2-methoxybenzene

Standard CAS: 352439-08-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
352439-08-8
Multi CAS
Yes
Molecular Formula
C7H5CL3O
Molecular Weight
211.500000
Exact Mass
209.940598
InChI
InChI=1S/C7H5Cl3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3/i1D3,2D,3D
InChIKey
WCVOGSZTONGSQY-RHIBPKLGSA-N

Physical Properties

Melting Point
61 - 62 °C
Boiling Point
241.00 °C. @ 760.00 mm Hg
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
48.02
TPSA
9.23

LogP / Solubility

WLOGP
3.66
MLOGP
3.22
XLogP3
4
Consensus LogP
3.63
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.19
Class (SILICOS-IT)
Slightly 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)
-1.41

Drug-likeness / Medicinal Chemistry

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

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