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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
6965-39-5 / 2-(4-chlorophenyl)-N'-hydroxyethanimidamide
Basic Information
CAS
6965-39-5
Multi CAS
Yes
Molecular Formula
C8H9CLN2O
Molecular Weight
184.620000
Exact Mass
184.040341
InChI
InChI=1S/C8H9ClN2O/c9-7-3-1-6(2-4-7)5-8(10)11-12/h1-4,12H,5H2,(H2,10,11)
InChIKey
MLNLOCIMTRRCHX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.56
TPSA
58.61
LogP / Solubility
WLOGP
1.63
MLOGP
1.43
XLogP3
1.6
Consensus LogP
1.55
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
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)
-2.69
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
-
-
-
NSC 18751
- CAS RN: 6966-21-8
- Product Code: starshine_CAS6966-21-8
- Purity/Analytical method: >99.0%
-
-
-
