CAS RN: 50907-22-7
5-(2,4-DICHLOROPHENYL)-1H-TETRAZOLE
Product Availability
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4 package records0 with current stock1 grade group
- Product code: starshine_CAS50907-22-7
- Purity/Analytical Methods: >99.0%
50907-22-7 / 5-(2,4-dichlorophenyl)-2H-tetrazole
Basic Information
CAS
50907-22-7
Multi CAS
No
Molecular Formula
C7H4CL2N4
Molecular Weight
215.040000
Exact Mass
213.981302
InChI
InChI=1S/C7H4Cl2N4/c8-4-1-2-5(6(9)3-4)7-10-12-13-11-7/h1-3H,(H,10,11,12,13)
InChIKey
DPHDYJRNGBXYQG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.63
TPSA
54.46
LogP / Solubility
WLOGP
2.17
MLOGP
1.91
XLogP3
2.4
Consensus LogP
2.16
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
Class (SILICOS-IT)
Moderately 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)
-2.49
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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