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CAS 74598-06-4 ethyl 5-chloro-4-formylthiophene-2-carboxylate molecular structure lightbox
CAS RN: 74598-06-4

ethyl 5-chloro-4-formylthiophene-2-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251019 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-184044
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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: 1g
  • 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 74598-06-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

74598-06-4 / ethyl 5-chloro-4-formylthiophene-2-carboxylate

Standard CAS: 74598-06-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
74598-06-4
Multi CAS
No
Molecular Formula
C8H7CLO3S
Molecular Weight
218.660000
Exact Mass
217.980443
InChI
InChI=1S/C8H7ClO3S/c1-2-12-8(11)6-3-5(4-10)7(9)13-6/h3-4H,2H2,1H3
InChIKey
GJTHZLGIEUAJIM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
50.67
TPSA
43.37

LogP / Solubility

WLOGP
2.39
MLOGP
2.11
XLogP3
2.6
Consensus LogP
2.37
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
Class (SILICOS-IT)
Poorly 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)
-2.36

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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