![CAS 2108176-82-3 5-[(Benzyloxy)methyl]-1-methyl-1H-tetrazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2108176-82-3.png)
CAS RN: 2108176-82-3
5-[(Benzyloxy)methyl]-1-methyl-1H-tetrazole
- Product code: SSC-100510
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, 0.25g, 1g, 5g, 10g
- Available purity: ≥95%
- Inventory rows with stock: 4
- 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% | 1 In Stock | Shanghai | Inquiry |
| 0.25g | ≥95% | 1 In Stock | Shenzhen | Inquiry |
| 1g | ≥95% | 1 In Stock | Shanghai | Inquiry |
| 5g | ≥95% | 1 In Stock | Beijing | Inquiry |
| 10g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
2108176-82-3 / 1-methyl-5-(phenylmethoxymethyl)tetrazole
Basic Information
CAS
2108176-82-3
Multi CAS
No
Molecular Formula
C10H12N4O
Molecular Weight
204.230000
Exact Mass
204.101111
SMILES
CN1C(=NN=N1)COCC2=CC=CC=C2
InChI
InChI=1S/C10H12N4O/c1-14-10(11-12-13-14)8-15-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKey
KILCNJINEIERTB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
53.73
TPSA
52.83
LogP / Solubility
WLOGP
0.93
MLOGP
0.82
XLogP3
0.7
Consensus LogP
0.82
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.24
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
4-(Dibenzylamino)-3-fluoro-2-methyl-2-butanol
- CAS RN: 2108176-83-4
- Product Code: SSC-100511
-
Trans-4-Fluoro-3-Methoxypyrrolidine Hydrochloride(WX601068)
- CAS RN: 2108511-81-3
- Product Code: SSC-100528
-
3-(difluoromethyl)bicyclo[1.1.1]pentan-1-amine hydrochloride
- CAS RN: 2108549-79-5
- Product Code: SSC-100529
-
tert-Butyl 4-hydrazinylpiperidine-1-carboxylate
- CAS RN: 2108550-78-1
- Product Code: SSC-100530
-
NG 25 trihydrochloride
- CAS RN: 2108554-00-1
- Product Code: starshine_CAS2108554-00-1
- Purity/Analytical method: >99.0%
-
MS023 (hydrochloride)
- CAS RN: 2108631-19-0
- Product Code: starshine_CAS2108631-19-0
- Purity/Analytical method: >99.0%
![CAS 2108549-79-5 3-(difluoromethyl)bicyclo[1.1.1]pentan-1-amine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2108549-79-5.png)
