![CAS 168640-82-2 2-[2-[2-(2-Azidoethoxy)ethoxy]ethoxy]-1-(p-toluenesulfonyl)-ethanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/168640-82-2.gif)
CAS RN: 168640-82-2
2-[2-[2-(2-Azidoethoxy)ethoxy]ethoxy]-1-(p-toluenesulfonyl)-ethanol
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock2 grade groups
- Product code: SSC-073477
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, 5g, 1g
- 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.
168640-82-2 / 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
Basic Information
CAS
168640-82-2
Multi CAS
No
Molecular Formula
C15H23N3O6S
Molecular Weight
373.400000
Exact Mass
373.130757
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C15H23N3O6S/c1-14-2-4-15(5-3-14)25(19,20)24-13-12-23-11-10-22-9-8-21-7-6-17-18-16/h2-5H,6-13H2,1H3
InChIKey
ZYZZLMAEZYMGEU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
14
H-bond acceptors
7
Molar refractivity
90.79
TPSA
119.82
LogP / Solubility
WLOGP
2.06
MLOGP
1.83
XLogP3
2
Consensus LogP
1.96
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.48
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 168683-02-1 4-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-2-CYCLOPENTENE-1-CARBOXYLIC ACID METHYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/168683-02-1.gif)
