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CAS 1638771-79-5 5-chloro-2-fluoro-3-iodopyrazolo[1,5-a]pyrimidine molecular structure lightbox
CAS RN: 1638771-79-5

5-chloro-2-fluoro-3-iodopyrazolo[1,5-a]pyrimidine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260326 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1638771-79-5
  • Purity/Analytical Methods: >99.0%
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1638771-79-5 / 5-chloro-2-fluoro-3-iodopyrazolo[1,5-a]pyrimidine

Standard CAS: 1638771-79-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1638771-79-5
Multi CAS
No
Molecular Formula
C6H2ClFIN3
Molecular Weight
297.450000
Exact Mass
296.896600
SMILES
C1=CN2C(=C(C(=N2)F)I)N=C1Cl
InChI
InChI=1S/C6H2ClFIN3/c7-3-1-2-12-6(10-3)4(9)5(8)11-12/h1-2H
InChIKey
LOULZKKNRLVZAA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
50.67
TPSA
30.19

LogP / Solubility

WLOGP
2.13
MLOGP
1.88
XLogP3
2.4
Consensus LogP
2.14
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.36
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.02

Drug-likeness / Medicinal Chemistry

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

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