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CAS 1363380-63-5 5-Methyl-4-phenoxy-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid ethyl ester molecular structure lightbox
CAS RN: 1363380-63-5

5-Methyl-4-phenoxy-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid ethyl ester

  • Product code: SSC-045282
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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 1363380-63-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1363380-63-5 / ethyl 5-methyl-4-phenoxypyrrolo[2,1-f][1,2,4]triazine-6-carboxylate

Standard CAS: 1363380-63-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1363380-63-5
Multi CAS
No
Molecular Formula
C16H15N3O3
Molecular Weight
297.310000
Exact Mass
297.111341
SMILES
CCOC(=O)C1=CN2C(=C1C)C(=NC=N2)OC3=CC=CC=C3
InChI
InChI=1S/C16H15N3O3/c1-3-21-16(20)13-9-19-14(11(13)2)15(17-10-18-19)22-12-7-5-4-6-8-12/h4-10H,3H2,1-2H3
InChIKey
QURNFBNWHYCIGF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
15
Fraction Csp3
0.19
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
80.2
TPSA
65.72

LogP / Solubility

WLOGP
3.01
MLOGP
2.66
XLogP3
2.9
Consensus LogP
2.86
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.57
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)
-2.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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