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CAS 6967-29-9 N-CHLOROACETYL-2,6-DIETHYLANILINE molecular structure lightbox
CAS RN: 6967-29-9

N-CHLOROACETYL-2,6-DIETHYLANILINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250731 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-179393
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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 6967-29-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

6967-29-9 / 2-chloro-N-(2,6-diethylphenyl)acetamide

Standard CAS: 6967-29-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
6967-29-9
Multi CAS
Yes
Molecular Formula
C12H16CLNO
Molecular Weight
225.710000
Exact Mass
225.092042
InChI
InChI=1S/C12H16ClNO/c1-3-9-6-5-7-10(4-2)12(9)14-11(15)8-13/h5-7H,3-4,8H2,1-2H3,(H,14,15)
InChIKey
LBJVHMAYBNQJBK-UHFFFAOYSA-N

Physical Properties

Melting Point
135 - 136 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
64.55
TPSA
29.1

LogP / Solubility

WLOGP
2.99
MLOGP
2.63
XLogP3
2.5
Consensus LogP
2.71
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.09
Class (SILICOS-IT)
Slightly 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)
-1.97

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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