CAS RN: 899431-18-6
A 438079 (hydrochloride)
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260207 | 1ml | In stock | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250510 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250605 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250824 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260608 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250223 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250412 | 5mg | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260127 | 5mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS899431-18-6
- Purity/Analytical Methods: >99.0%
899431-18-6 / 3-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]pyridine;hydrochloride
Basic Information
CAS
899431-18-6
Multi CAS
Yes
Molecular Formula
C13H10CL3N5
Molecular Weight
342.600000
Exact Mass
341.000178
InChI
InChI=1S/C13H9Cl2N5.ClH/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;1H
InChIKey
MBTJFFMIPPMRGR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
17
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
83.86
TPSA
56.49
LogP / Solubility
WLOGP
3.51
MLOGP
3.11
XLogP3
3.51
Consensus LogP
3.38
Log S (ESOL)
-4.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.16
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)
-2.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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