![CAS 34162-12-4 2-CHLORO-N-[2-(3-METHOXYPHENYL)ETHYL]-ACETAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/34162-12-4(2).gif)
CAS RN: 34162-12-4
2-CHLORO-N-[2-(3-METHOXYPHENYL)ETHYL]-ACETAMIDE
- Product code: SSC-140397
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 | Beijing | Inquiry |
34162-12-4 / 2-chloro-N-[2-(3-methoxyphenyl)ethyl]acetamide
Basic Information
CAS
34162-12-4
Multi CAS
Yes
Molecular Formula
C11H14CLNO2
Molecular Weight
227.690000
Exact Mass
227.071306
InChI
InChI=1S/C11H14ClNO2/c1-15-10-4-2-3-9(7-10)5-6-13-11(14)8-12/h2-4,7H,5-6,8H2,1H3,(H,13,14)
InChIKey
HPHJTWKPQRPOLN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.43
TPSA
38.33
LogP / Solubility
WLOGP
1.59
MLOGP
1.4
XLogP3
2.1
Consensus LogP
1.7
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
Class (SILICOS-IT)
Poorly 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)
-2.98
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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