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CAS 101908-41-2 N1-(2,4-DIMETHOXYPHENYL)-2-CHLOROACETAMIDE molecular structure lightbox
CAS RN: 101908-41-2

N1-(2,4-DIMETHOXYPHENYL)-2-CHLOROACETAMIDE

  • Product code: SSC-003011
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 101908-41-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

101908-41-2 / 2-chloro-N-(2,4-dimethoxyphenyl)acetamide

2-chloro-N-(2,4-dimethoxyphenyl)acetamide | DTXSID20307629 | RefChem:259266

Standard CAS: 101908-41-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
101908-41-2
Multi CAS
No
Molecular Formula
C10H12ClNO3
Molecular Weight
229.660000
Exact Mass
229.050571
SMILES
COC1=CC(=C(C=C1)NC(=O)CCl)OC
InChI
InChI=1S/C10H12ClNO3/c1-14-7-3-4-8(9(5-7)15-2)12-10(13)6-11/h3-5H,6H2,1-2H3,(H,12,13)
InChIKey
SPDLCISEBHCEFN-UHFFFAOYSA-N
Synonyms
2-chloro-N-(2,4-dimethoxyphenyl)acetamide DTXSID20307629 RefChem:259266 DTXCID50258756 808-795-3

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.9
TPSA
47.56

LogP / Solubility

WLOGP
1.88
MLOGP
1.66
XLogP3
1.9
Consensus LogP
1.81
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.19
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)
-2.79

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317

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