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CAS 35212-99-8 5,6-DIMETHOXY-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER molecular structure lightbox
CAS RN: 35212-99-8

5,6-DIMETHOXY-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER

  • Product code: SSC-142088
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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
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • 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 35212-99-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

35212-99-8 / methyl 5,6-dimethoxy-1-benzothiophene-2-carboxylate

Standard CAS: 35212-99-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
35212-99-8
Multi CAS
No
Molecular Formula
C12H12O4S
Molecular Weight
252.290000
Exact Mass
252.045630
InChI
InChI=1S/C12H12O4S/c1-14-8-4-7-5-11(12(13)16-3)17-10(7)6-9(8)15-2/h4-6H,1-3H3
InChIKey
GUZPWUYCMLYIPS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
66.27
TPSA
44.76

LogP / Solubility

WLOGP
2.71
MLOGP
2.39
XLogP3
3.1
Consensus LogP
2.73
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.91
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34

Drug-likeness / Medicinal Chemistry

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

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