![CAS 874902-19-9 5-[[(1,1′-BIPHENYL)-4-YL]METHYL]-N,N-DIMETHYL-1H-TETRAZOLE-1-CARBOXAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/874902-19-9.gif)
CAS RN: 874902-19-9
5-[[(1,1′-BIPHENYL)-4-YL]METHYL]-N,N-DIMETHYL-1H-TETRAZOLE-1-CARBOXAMIDE
Product Availability
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7 package records6 with current stock3 grade groups
- Product code: starshine_CAS874902-19-9
- Purity/Analytical Methods: >99.0%
874902-19-9 / N,N-dimethyl-5-[(4-phenylphenyl)methyl]tetrazole-1-carboxamide
Basic Information
CAS
874902-19-9
Multi CAS
No
Molecular Formula
C17H17N5O
Molecular Weight
307.350000
Exact Mass
307.143310
InChI
InChI=1S/C17H17N5O/c1-21(2)17(23)22-16(18-19-20-22)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKey
GZNIYOXWFCDBBJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
17
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
86.98
TPSA
63.91
LogP / Solubility
WLOGP
2.46
MLOGP
2.18
XLogP3
3
Consensus LogP
2.55
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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