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CAS 808116-52-1 ethyl 4-hydroxy-7-phenoxyisoquinoline-3-carboxylate molecular structure lightbox
CAS RN: 808116-52-1

ethyl 4-hydroxy-7-phenoxyisoquinoline-3-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250103 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-189454
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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: 10g
  • 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 808116-52-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Shenzhen Inquiry

808116-52-1 / ethyl 4-hydroxy-7-phenoxyisoquinoline-3-carboxylate

Standard CAS: 808116-52-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
808116-52-1
Multi CAS
No
Molecular Formula
C18H15NO4
Molecular Weight
309.300000
Exact Mass
309.100108
InChI
InChI=1S/C18H15NO4/c1-2-22-18(21)16-17(20)15-9-8-14(10-12(15)11-19-16)23-13-6-4-3-5-7-13/h3-11,20H,2H2,1H3
InChIKey
WEANEDLYMJPBOQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
16
Fraction Csp3
0.11
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
85.88
TPSA
68.65

LogP / Solubility

WLOGP
3.91
MLOGP
3.45
XLogP3
4.4
Consensus LogP
3.92
Log S (ESOL)
-4.47
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.4
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)
-1.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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