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CAS 802915-18-0 CHEMBRDG-BB 4013408 molecular structure lightbox
CAS RN: 802915-18-0

CHEMBRDG-BB 4013408

  • Product code: SSC-189219
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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: 0.1g, 0.25g, 1g, 5g
  • 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 802915-18-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 0 Out of Stock Shenzhen Inquiry
0.25g >97% 0 Out of Stock Shanghai Inquiry
1g >97% 0 Out of Stock Shanghai Inquiry
5g >97% 0 Out of Stock Shenzhen Inquiry

802915-18-0 / 1-ethyltriazol-4-amine

Standard CAS: 802915-18-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
802915-18-0
Multi CAS
No
Molecular Formula
C4H8N4
Molecular Weight
112.130000
Exact Mass
112.074896
InChI
InChI=1S/C4H8N4/c1-2-8-3-4(5)6-7-8/h3H,2,5H2,1H3
InChIKey
QQTFIQIFWFHGEU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
30.11
TPSA
56.73

LogP / Solubility

WLOGP
-0.12
MLOGP
-0.12
XLogP3
-0.4
Consensus LogP
-0.21
Log S (ESOL)
-0.86
Class (ESOL)
Very soluble
Log S (Ali)
-0.39
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.41
Class (SILICOS-IT)
Very 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)
-3.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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