![CAS 671186-08-6 5-[2-(2,4-Dichlorophenoxy)phenyl]-2H-tetrazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/671186-08-6.gif)
CAS RN: 671186-08-6
5-[2-(2,4-Dichlorophenoxy)phenyl]-2H-tetrazole
- Product code: SSC-176761
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
671186-08-6 / 5-[2-(2,4-dichlorophenoxy)phenyl]-2H-tetrazole
Basic Information
CAS
671186-08-6
Multi CAS
No
Molecular Formula
C13H8CL2N4O
Molecular Weight
307.130000
Exact Mass
306.007516
InChI
InChI=1S/C13H8Cl2N4O/c14-8-5-6-12(10(15)7-8)20-11-4-2-1-3-9(11)13-16-18-19-17-13/h1-7H,(H,16,17,18,19)
InChIKey
NUYWOTGHOXXCLV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
17
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
76.15
TPSA
63.69
LogP / Solubility
WLOGP
3.97
MLOGP
3.5
XLogP3
3.9
Consensus LogP
3.79
Log S (ESOL)
-4.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.31
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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