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CAS 56640-73-4 5-METHYL-1-BENZALAMINO-TETRAZOLE molecular structure lightbox
CAS RN: 56640-73-4

5-METHYL-1-BENZALAMINO-TETRAZOLE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250612 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS56640-73-4
  • Purity/Analytical Methods: >99.0%
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56640-73-4 / N-(5-methyltetrazol-1-yl)-1-phenylmethanimine

Standard CAS: 56640-73-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
56640-73-4
Multi CAS
Yes
Molecular Formula
C9H9N5
Molecular Weight
187.200000
Exact Mass
187.085795
InChI
InChI=1S/C9H9N5/c1-8-11-12-13-14(8)10-7-9-5-3-2-4-6-9/h2-7H,1H3
InChIKey
WPEIMSRVCICHJM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
51.99
TPSA
55.96

LogP / Solubility

WLOGP
0.86
MLOGP
0.76
XLogP3
1.7
Consensus LogP
1.11
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
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)
-3.25

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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