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CAS 1049730-74-6 Imidazo[1,2-a]pyrimidine-2-acetic acidhydrochloride molecular structure lightbox
CAS RN: 1049730-74-6

Imidazo[1,2-a]pyrimidine-2-acetic acidhydrochloride

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250105 100mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1049730-74-6
  • Purity/Analytical Methods: >99.0%
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1049730-74-6 / 2-imidazo[1,2-a]pyrimidin-2-ylacetic acid;hydrochloride

Imidazo[1,2-a]pyrimidine-2-acetic acid hydrochloride | 2-(imidazo[1,2-a]pyrimidin-2-yl)acetic acid hydrochloride | 2-(IMIDAZO[1,2-A]PYRIMIDIN-2-YL)ACETIC ACID HCL

Standard CAS: 1049730-74-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1049730-74-6
Multi CAS
No
Molecular Formula
C8H8ClN3O2
Molecular Weight
213.620000
Exact Mass
213.030504
SMILES
C1=CN2C=C(N=C2N=C1)CC(=O)O.Cl
InChI
InChI=1S/C8H7N3O2.ClH/c12-7(13)4-6-5-11-3-1-2-9-8(11)10-6;/h1-3,5H,4H2,(H,12,13);1H
InChIKey
YIPFPTNJZPZLOQ-UHFFFAOYSA-N
Synonyms
Imidazo[1,2-a]pyrimidine-2-acetic acid hydrochloride 2-(imidazo[1,2-a]pyrimidin-2-yl)acetic acid hydrochloride 2-(IMIDAZO[1,2-A]PYRIMIDIN-2-YL)ACETIC ACID HCL 2-imidazo[1,2-a]pyrimidin-2-ylacetic acid;hydrochloride Imidazo[1,2-a]pyrimidine-2-aceticacidhydrochloride

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
51.57
TPSA
67.49

LogP / Solubility

WLOGP
0.78
MLOGP
0.69
XLogP3
0.78
Consensus LogP
0.75
Log S (ESOL)
-2
Class (ESOL)
Soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
Class (SILICOS-IT)
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)
-3.47

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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