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CAS 13957-36-3 meladrazine molecular structure lightbox
CAS RN: 13957-36-3

meladrazine

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260308 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20260318 1g In stock Shanghai Inquiry
Batchno.20250415 250mg In stock Shanghai Inquiry
Batchno.20260322 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS13957-36-3
  • Purity/Analytical Methods: >99.0%
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13957-36-3 / 2-N,2-N,4-N,4-N-tetraethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine

Standard CAS: 13957-36-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13957-36-3
Multi CAS
No
Molecular Formula
C11H23N7
Molecular Weight
253.350000
Exact Mass
253.201494
SMILES
CCN(CC)C1=NC(=NC(=N1)NN)N(CC)CC
InChI
InChI=1S/C11H23N7/c1-5-17(6-2)10-13-9(16-12)14-11(15-10)18(7-3)8-4/h5-8,12H2,1-4H3,(H,13,14,15,16)
InChIKey
IRQOBYXMACIFKD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.73
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
2
Molar refractivity
74.76
TPSA
83.2

LogP / Solubility

WLOGP
0.85
MLOGP
0.75
XLogP3
1.9
Consensus LogP
1.17
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
Class (SILICOS-IT)
Moderately 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)
-3.66

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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