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CAS 310436-60-3 Ethyl 5-ethyl-4-hydroxypy… molecular structure lightbox
CAS RN: 310436-60-3

Ethyl 5-ethyl-4-hydroxypy…

  • Product code: SSC-136276
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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 310436-60-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

310436-60-3 / ethyl 5-ethyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate

Standard CAS: 310436-60-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
310436-60-3
Multi CAS
Yes
Molecular Formula
C11H13N3O3
Molecular Weight
235.240000
Exact Mass
235.095691
InChI
InChI=1S/C11H13N3O3/c1-3-7-8(11(16)17-4-2)5-14-9(7)10(15)12-6-13-14/h5-6H,3-4H2,1-2H3,(H,12,13,15)
InChIKey
ZCJUMISNPKORHP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
61.15
TPSA
76.46

LogP / Solubility

WLOGP
0.76
MLOGP
0.67
XLogP3
1.2
Consensus LogP
0.88
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.18
Class (SILICOS-IT)
Moderately 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)
-3.61

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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