![CAS 851814-17-0 2-CHLORO-N-[[5-(4-CHLOROPHENYL)-2-FURYL]METHYL]ACETAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB1163702.gif)
CAS RN: 851814-17-0
2-CHLORO-N-[[5-(4-CHLOROPHENYL)-2-FURYL]METHYL]ACETAMIDE
- Product code: SSC-193398
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
851814-17-0 / 2-chloro-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide
Basic Information
CAS
851814-17-0
Multi CAS
No
Molecular Formula
C13H11CL2NO2
Molecular Weight
284.130000
Exact Mass
283.016684
InChI
InChI=1S/C13H11Cl2NO2/c14-7-13(17)16-8-11-5-6-12(18-11)9-1-3-10(15)4-2-9/h1-6H,7-8H2,(H,16,17)
InChIKey
NFUTVEFDOQYMMQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.15
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
71.72
TPSA
42.24
LogP / Solubility
WLOGP
3.46
MLOGP
3.05
XLogP3
3
Consensus LogP
3.17
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.85
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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