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CAS 1313738-63-4 6-hydrazinylpyridazin-3-carboxylic acid Methyl ester HCl molecular structure lightbox
CAS RN: 1313738-63-4

6-hydrazinylpyridazin-3-carboxylic acid Methyl ester HCl

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Batchno.20250819 100mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS1313738-63-4
  • Purity/Analytical Methods: >99.0%
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1313738-63-4 / methyl 6-hydrazinylpyridazine-3-carboxylate;hydrochloride

Standard CAS: 1313738-63-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1313738-63-4
Multi CAS
No
Molecular Formula
C6H9ClN4O2
Molecular Weight
204.610000
Exact Mass
204.041403
SMILES
COC(=O)C1=NN=C(C=C1)NN.Cl
InChI
InChI=1S/C6H8N4O2.ClH/c1-12-6(11)4-2-3-5(8-7)10-9-4;/h2-3H,7H2,1H3,(H,8,10);1H
InChIKey
MLCYNQDLYZUSFW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
48.43
TPSA
90.13

LogP / Solubility

WLOGP
-0.03
MLOGP
-0.03
XLogP3
-0.03
Consensus LogP
-0.03
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-1.22
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.21
Class (SILICOS-IT)
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)
-3.99

Drug-likeness / Medicinal Chemistry

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

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