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CAS 1938145-37-9 4′-(4-(1H-tetrazol-5-yl)phenyl)-2,2′:6′,2”-terpyridine molecular structure lightbox
CAS RN: 1938145-37-9

4′-(4-(1H-tetrazol-5-yl)phenyl)-2,2′:6′,2”-terpyridine

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251011 250mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: LINH887237
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1938145-37-9 / 2,6-dipyridin-2-yl-4-[4-(2H-tetrazol-5-yl)phenyl]pyridine

Standard CAS: 1938145-37-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1938145-37-9
Multi CAS
No
Molecular Formula
C22H15N7
Molecular Weight
377.400000
Exact Mass
377.138894
SMILES
C1=CC=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)C4=CC=C(C=C4)C5=NNN=N5
InChI
InChI=1S/C22H15N7/c1-3-11-23-18(5-1)20-13-17(14-21(25-20)19-6-2-4-12-24-19)15-7-9-16(10-8-15)22-26-28-29-27-22/h1-14H,(H,26,27,28,29)
InChIKey
TYPVFQIUIACQTC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
29
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
109.31
TPSA
93.13

LogP / Solubility

WLOGP
4.05
MLOGP
3.59
XLogP3
2.9
Consensus LogP
3.51
Log S (ESOL)
-5.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.96
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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