![CAS 899507-36-9 3-[[5-(2,3-DICHLOROPHENYL)-1H-TETRAZOL-1-YL]METHYL]PYRIDINE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/899507-36-9.gif)
CAS RN: 899507-36-9
3-[[5-(2,3-DICHLOROPHENYL)-1H-TETRAZOL-1-YL]METHYL]PYRIDINE HYDROCHLORIDE
Product Availability
Choose a grade to view its available package options.
8 package records6 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250807 | 10mg / 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS899507-36-9
- Purity/Analytical Methods: >99.0%
899507-36-9 / 3-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]pyridine
Basic Information
CAS
899507-36-9
Multi CAS
Yes
Molecular Formula
C13H9CL2N5
Molecular Weight
306.150000
Exact Mass
305.023501
InChI
InChI=1S/C13H9Cl2N5/c14-11-5-1-4-10(12(11)15)13-17-18-19-20(13)8-9-3-2-6-16-7-9/h1-7H,8H2
InChIKey
MMPAULQSJLVKHP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
17
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
76.61
TPSA
56.49
LogP / Solubility
WLOGP
3.09
MLOGP
2.73
XLogP3
3
Consensus LogP
2.94
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.57
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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