CAS RN: 265130-17-4
2,3-DICHLORO-N-HYDROXYBENZENECARBOXIMIDOYL CHLORIDE
- Product code: SSC-124463
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 | Hong Kong | Inquiry |
265130-17-4 / 2,3-dichloro-N-hydroxybenzenecarboximidoyl chloride
Basic Information
CAS
265130-17-4
Multi CAS
No
Molecular Formula
C7H4Cl3NO
Molecular Weight
224.500000
Exact Mass
222.935847
SMILES
C1=CC(=C(C(=C1)Cl)Cl)C(=NO)Cl
InChI
InChI=1S/C7H4Cl3NO/c8-5-3-1-2-4(6(5)9)7(10)11-12/h1-3,12H
InChIKey
KGRTTYDOBNWTOO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.64
TPSA
32.59
LogP / Solubility
WLOGP
3.37
MLOGP
2.97
XLogP3
3.9
Consensus LogP
3.41
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly 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)
-1.7
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
1.5
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