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CAS 1185318-49-3 3-Chloro-4-methyl-6-(iso-propyl-d7)-pyridazine molecular structure lightbox
CAS RN: 1185318-49-3

3-Chloro-4-methyl-6-(iso-propyl-d7)-pyridazine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250301 1mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: LINC889852
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1185318-49-3 / 3-chloro-6-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-4-methylpyridazine

3-Chloro-4-methyl-6-(iso-propyl-d7)-pyridazine | AKOS015944501 | CS-17846

Standard CAS: 1185318-49-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1185318-49-3
Multi CAS
No
Molecular Formula
C8H11ClN2
Molecular Weight
177.680000
Exact Mass
177.105013
SMILES
[2H]C([2H])([2H])C([2H])(C1=NN=C(C(=C1)C)Cl)C([2H])([2H])[2H]
InChI
InChI=1S/C8H11ClN2/c1-5(2)7-4-6(3)8(9)11-10-7/h4-5H,1-3H3/i1D3,2D3,5D
InChIKey
RBEORAXFRASQHR-TXVPSQRDSA-N
Synonyms
3-Chloro-4-methyl-6-(iso-propyl-d7)-pyridazine AKOS015944501 CS-17846

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
45.87
TPSA
25.78

LogP / Solubility

WLOGP
2.56
MLOGP
2.25
XLogP3
2.3
Consensus LogP
2.37
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
Class (SILICOS-IT)
Poorly 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)
-1.94

Drug-likeness / Medicinal Chemistry

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

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