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CAS 1527-61-3 N1-(4-ISOPROPYLPHENYL)-2-CHLOROACETAMIDE molecular structure lightbox
CAS RN: 1527-61-3

N1-(4-ISOPROPYLPHENYL)-2-CHLOROACETAMIDE

  • Product code: SSC-062437
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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: 5g
  • 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 1527-61-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1527-61-3 / 2-chloro-N-(4-propan-2-ylphenyl)acetamide

Standard CAS: 1527-61-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1527-61-3
Multi CAS
No
Molecular Formula
C11H14ClNO
Molecular Weight
211.690000
Exact Mass
211.076392
SMILES
CC(C)C1=CC=C(C=C1)NC(=O)CCl
InChI
InChI=1S/C11H14ClNO/c1-8(2)9-3-5-10(6-4-9)13-11(14)7-12/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKey
NBPOAZHKOZEYOV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
59.88
TPSA
29.1

LogP / Solubility

WLOGP
2.99
MLOGP
2.63
XLogP3
2.8
Consensus LogP
2.81
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
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)
-1.89

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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