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CAS 41798-81-6 1,5-Di-p-tolyl-3-methyl-1,4-pentazadiene molecular structure lightbox
CAS RN: 41798-81-6

1,5-Di-p-tolyl-3-methyl-1,4-pentazadiene

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260220 200mg Out of stock 30 business days Inquiry
  • Product code: ICTD1639
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41798-81-6 / N,N-bis[(4-methylphenyl)diazenyl]methanamine

Standard CAS: 41798-81-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
41798-81-6
Multi CAS
Yes
Molecular Formula
C15H17N5
Molecular Weight
267.330000
Exact Mass
267.148396
InChI
InChI=1S/C15H17N5/c1-12-4-8-14(9-5-12)16-18-20(3)19-17-15-10-6-13(2)7-11-15/h4-11H,1-3H3
InChIKey
QYJYKVPNNJFJGE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
79.15
TPSA
52.68

LogP / Solubility

WLOGP
4.93
MLOGP
4.35
XLogP3
5.4
Consensus LogP
4.89
Log S (ESOL)
-4.79
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.97
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.85

Drug-likeness / Medicinal Chemistry

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

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