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CAS 59962-89-9 5-CHLORO-BENZOFURAN-2-CARBOXYLIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 59962-89-9

5-CHLORO-BENZOFURAN-2-CARBOXYLIC ACID ETHYL ESTER

  • Product code: SSC-168539
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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: ＞97%
  • 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 59962-89-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

59962-89-9 / ethyl 5-chloro-1-benzofuran-2-carboxylate

Standard CAS: 59962-89-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
59962-89-9
Multi CAS
No
Molecular Formula
C11H9CLO3
Molecular Weight
224.640000
Exact Mass
224.024022
InChI
InChI=1S/C11H9ClO3/c1-2-14-11(13)10-6-7-5-8(12)3-4-9(7)15-10/h3-6H,2H2,1H3
InChIKey
KTBFFSXNFOOSEH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
57.18
TPSA
39.44

LogP / Solubility

WLOGP
3.26
MLOGP
2.87
XLogP3
3.5
Consensus LogP
3.21
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly 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)
-1.77

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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