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CAS 749920-76-1 2-CHLORO-N-(2-[(2-METHOXY-5-METHYLPHENYL)AMINO]-2-OXOETHYL)ACETAMIDE molecular structure lightbox
CAS RN: 749920-76-1

2-CHLORO-N-(2-[(2-METHOXY-5-METHYLPHENYL)AMINO]-2-OXOETHYL)ACETAMIDE

  • Product code: SSC-184490
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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: 0.25g
  • 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 749920-76-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

749920-76-1 / 2-[(2-chloroacetyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide

Standard CAS: 749920-76-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
749920-76-1
Multi CAS
No
Molecular Formula
C12H15CLN2O3
Molecular Weight
270.710000
Exact Mass
270.077120
InChI
InChI=1S/C12H15ClN2O3/c1-8-3-4-10(18-2)9(5-8)15-12(17)7-14-11(16)6-13/h3-5H,6-7H2,1-2H3,(H,14,16)(H,15,17)
InChIKey
KZUQPLKJLQVAHO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
70.09
TPSA
67.43

LogP / Solubility

WLOGP
1.3
MLOGP
1.15
XLogP3
1.4
Consensus LogP
1.28
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.45

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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