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CAS 554407-06-6 2-CHLORO-N-[2-DIETHYLAMINO-5-(MORPHOLINE-4-SULFONYL)-PHENYL]-ACETAMIDE molecular structure lightbox
CAS RN: 554407-06-6

2-CHLORO-N-[2-DIETHYLAMINO-5-(MORPHOLINE-4-SULFONYL)-PHENYL]-ACETAMIDE

  • Product code: SSC-163349
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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 554407-06-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

554407-06-6 / 2-chloro-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide

Standard CAS: 554407-06-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
554407-06-6
Multi CAS
No
Molecular Formula
C16H24CLN3O4S
Molecular Weight
389.900000
Exact Mass
389.117605
InChI
InChI=1S/C16H24ClN3O4S/c1-3-19(4-2)15-6-5-13(11-14(15)18-16(21)12-17)25(22,23)20-7-9-24-10-8-20/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,18,21)
InChIKey
VBCHOURZCIUIHA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
1
Molar refractivity
98.93
TPSA
78.95

LogP / Solubility

WLOGP
1.73
MLOGP
1.55
XLogP3
1.4
Consensus LogP
1.56
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.47
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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