Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 1g, 0.25g, 5g, 10g
- Available purity: ≥95%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ≥95% | 5 In Stock | Shenzhen | Inquiry |
| 1g | ≥95% | 5 In Stock | Beijing | Inquiry |
| 0.25g | ≥95% | 3 In Stock | Shanghai | Inquiry |
| 5g | ≥95% | 1 In Stock | Shanghai | Inquiry |
| 10g | ≥95% | 1 In Stock | Shenzhen | Inquiry |
1707562-96-6 / (1-methyltetrazol-5-yl)methanol
Basic Information
CAS
1707562-96-6
Multi CAS
No
Molecular Formula
C3H6N4O
Molecular Weight
114.110000
Exact Mass
114.054161
SMILES
CN1C(=NN=N1)CO
InChI
InChI=1S/C3H6N4O/c1-7-3(2-8)4-5-6-7/h8H,2H2,1H3
InChIKey
PXLNFNPKVSGUDU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
24.72
TPSA
63.83
LogP / Solubility
WLOGP
-1.3
MLOGP
-1.15
XLogP3
-1.3
Consensus LogP
-1.25
Log S (ESOL)
-0.13
Class (ESOL)
Very soluble
Log S (Ali)
0.44
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.56
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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