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CAS 92306-69-9 Pyrimidine, 4-tetrazol-5-yl- (7CI) molecular structure lightbox
CAS RN: 92306-69-9

Pyrimidine, 4-tetrazol-5-yl- (7CI)

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251012 100mg In stock Shanghai Inquiry
Batchno.20260416 1g Out of stock 8-10 business days Inquiry
Batchno.20250119 250mg In stock Shanghai Inquiry
Batchno.20251111 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS92306-69-9
  • Purity/Analytical Methods: >99.0%
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92306-69-9 / 4-(2H-tetrazol-5-yl)pyrimidine

Standard CAS: 92306-69-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
92306-69-9
Multi CAS
No
Molecular Formula
C5H4N6
Molecular Weight
148.130000
Exact Mass
148.049744
InChI
InChI=1S/C5H4N6/c1-2-6-3-7-4(1)5-8-10-11-9-5/h1-3H,(H,8,9,10,11)
InChIKey
TYYLJWSPZRCEFT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
35.2
TPSA
80.24

LogP / Solubility

WLOGP
-0.34
MLOGP
-0.31
XLogP3
-0.5
Consensus LogP
-0.38
Log S (ESOL)
-1.22
Class (ESOL)
Soluble
Log S (Ali)
-0.53
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.46
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)
-3.87

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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