CAS RN: 681490-93-7
DE-7
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250112 | 1g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry | |
| Batchno.20250507 | 250mg | In stock | Shanghai, Shenzhen, Wuhan, Chengdu | Inquiry | |
| Batchno.20260308 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20260209 | 5g | In stock | Shanghai, Tianjin | Inquiry |
- Product code: starshine_CAS681490-93-7
- Purity/Analytical Methods: >99.0%
681490-93-7 / 2-chloro-1-[[(2R)-2-methyloxiran-2-yl]methyl]-4-nitroimidazole
Basic Information
CAS
681490-93-7
Multi CAS
Yes
Molecular Formula
C7H8CLN3O3
Molecular Weight
217.610000
Exact Mass
217.025419
InChI
InChI=1S/C7H8ClN3O3/c1-7(4-14-7)3-10-2-5(11(12)13)9-6(10)8/h2H,3-4H2,1H3/t7-/m1/s1
InChIKey
SZMDGYNOADBVSR-SSDOTTSWSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
48.25
TPSA
73.49
LogP / Solubility
WLOGP
1.23
MLOGP
1.09
XLogP3
0.9
Consensus LogP
1.07
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
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)
-3.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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