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CAS 950685-49-1 IMidazole-2-aMidine aceta… molecular structure lightbox
CAS RN: 950685-49-1

IMidazole-2-aMidine aceta…

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260513 100mg / 500mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-210272
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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 950685-49-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

950685-49-1 / acetic acid;1H-imidazole-2-carboximidamide

Standard CAS: 950685-49-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
950685-49-1
Multi CAS
Yes
Molecular Formula
C6H10N4O2
Molecular Weight
170.170000
Exact Mass
170.080376
InChI
InChI=1S/C4H6N4.C2H4O2/c5-3(6)4-7-1-2-8-4;1-2(3)4/h1-2H,(H3,5,6)(H,7,8);1H3,(H,3,4)
InChIKey
GHAMYQQBAIOVSC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
4
Molar refractivity
42.91
TPSA
115.85

LogP / Solubility

WLOGP
-0.22
MLOGP
-0.19
XLogP3
-0.22
Consensus LogP
-0.21
Log S (ESOL)
-1
Class (ESOL)
Soluble
Log S (Ali)
-0.8
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.71
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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