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CAS 74556-86-8 5-[(2,6-Dichlorophenoxy)methyl]thiophene-2-carboxylic acid molecular structure lightbox
CAS RN: 74556-86-8

5-[(2,6-Dichlorophenoxy)methyl]thiophene-2-carboxylic acid

  • Product code: SSC-184003
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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 74556-86-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

74556-86-8 / 5-[(2,6-dichlorophenoxy)methyl]thiophene-2-carboxylic acid

Standard CAS: 74556-86-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
74556-86-8
Multi CAS
No
Molecular Formula
C12H8CL2O3S
Molecular Weight
303.200000
Exact Mass
301.957121
InChI
InChI=1S/C12H8Cl2O3S/c13-8-2-1-3-9(14)11(8)17-6-7-4-5-10(18-7)12(15)16/h1-5H,6H2,(H,15,16)
InChIKey
LEPIPUATYXXCQK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.08
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
72.07
TPSA
46.53

LogP / Solubility

WLOGP
4.33
MLOGP
3.82
XLogP3
4.2
Consensus LogP
4.12
Log S (ESOL)
-4.64
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.71
Class (SILICOS-IT)
Slightly soluble

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)
-1.49

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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