Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 100g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 100g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
65039-04-5 / 1-ethyl-3-methylimidazol-3-ium perchlorate
Basic Information
CAS
65039-04-5
Multi CAS
Yes
Molecular Formula
C6H11CLN2O4
Molecular Weight
210.610000
Exact Mass
210.040735
InChI
InChI=1S/C6H11N2.ClHO4/c1-3-8-5-4-7(2)6-8;2-1(3,4)5/h4-6H,3H2,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChIKey
AWFZWOAVHXBLLV-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
31.28
TPSA
101.05
LogP / Solubility
WLOGP
-4.42
MLOGP
-3.89
XLogP3
-4.42
Consensus LogP
-4.24
Log S (ESOL)
1.42
Class (ESOL)
Highly soluble
Log S (Ali)
1.91
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.52
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)
-7.15
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
Customers Also Viewed
-
-
-
Cefetamet hydrochloride
- CAS RN: 65052-63-3
- Product Code: starshine_CAS65052-63-3
- Purity/Analytical method: >99.0%
-
Ethyl 2-(2-Aminothiazol-4-yl)-2-(methoxyimino)acetate
- CAS RN: 65052-66-6
- Product Code: SSC-174706
-
-
