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CAS 1014-78-4 6-chloro-N-phenylpyridazin-3-amine molecular structure lightbox
CAS RN: 1014-78-4

6-chloro-N-phenylpyridazin-3-amine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260102 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1014-78-4
  • Purity/Analytical Methods: >99.0%
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1014-78-4 / 6-chloro-N-phenylpyridazin-3-amine

6-chloro-N-phenylpyridazin-3-amine | DTXSID00423311 | RefChem:308105

Standard CAS: 1014-78-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1014-78-4
Multi CAS
No
Molecular Formula
C10H8ClN3
Molecular Weight
205.640000
Exact Mass
205.040675
SMILES
C1=CC=C(C=C1)NC2=NN=C(C=C2)Cl
InChI
InChI=1S/C10H8ClN3/c11-9-6-7-10(14-13-9)12-8-4-2-1-3-5-8/h1-7H,(H,12,14)
InChIKey
ULZCESXDSWFKGL-UHFFFAOYSA-N
Synonyms
6-chloro-N-phenylpyridazin-3-amine DTXSID00423311 RefChem:308105 DTXCID80374150 MFCD03675497

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.77
TPSA
37.81

LogP / Solubility

WLOGP
2.87
MLOGP
2.53
XLogP3
2.7
Consensus LogP
2.7
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.93

Drug-likeness / Medicinal Chemistry

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

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