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
- 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.
73315-63-6 / 2-(chloromethyl)-1,3,4-oxadiazole
Basic Information
CAS
73315-63-6
Multi CAS
No
Molecular Formula
C3H3CLN2O
Molecular Weight
118.520000
Exact Mass
117.993390
InChI
InChI=1S/C3H3ClN2O/c4-1-3-6-5-2-7-3/h2H,1H2
InChIKey
BQGOXMFAGHVQDF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
23.85
TPSA
38.92
LogP / Solubility
WLOGP
0.81
MLOGP
0.7
XLogP3
0.2
Consensus LogP
0.57
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-1.12
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.22
Class (SILICOS-IT)
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)
-2.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 73323-91-8 2-[(1R)-2-HYDROXY-1-METHYLETHYL]-1H-ISOINDOLE-1,3(2H)-DIONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/73323-91-8.gif)
