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CAS 865444-80-0 methyl 1-amino-1H-imidazole-5-carboxylate molecular structure lightbox
CAS RN: 865444-80-0

methyl 1-amino-1H-imidazole-5-carboxylate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250918 100mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS865444-80-0
  • Purity/Analytical Methods: >99.0%
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865444-80-0 / methyl 3-aminoimidazole-4-carboxylate

Standard CAS: 865444-80-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
865444-80-0
Multi CAS
No
Molecular Formula
C5H7N3O2
Molecular Weight
141.130000
Exact Mass
141.053826
InChI
InChI=1S/C5H7N3O2/c1-10-5(9)4-2-7-3-8(4)6/h2-3H,6H2,1H3
InChIKey
BGPIJVLISHIDFQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
33.72
TPSA
70.14

LogP / Solubility

WLOGP
-0.62
MLOGP
-0.55
XLogP3
0.5
Consensus LogP
-0.22
Log S (ESOL)
-0.63
Class (ESOL)
Very soluble
Log S (Ali)
-0.27
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.19
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.02

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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