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CAS 379723-72-5 2-CHLORO-N-[2-CHLORO-5-(MORPHOLIN-4-YLSULFONYL)PHENYL]ACETAMIDE molecular structure lightbox
CAS RN: 379723-72-5

2-CHLORO-N-[2-CHLORO-5-(MORPHOLIN-4-YLSULFONYL)PHENYL]ACETAMIDE

  • Product code: SSC-145422
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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 379723-72-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

379723-72-5 / 2-chloro-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide

Standard CAS: 379723-72-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
379723-72-5
Multi CAS
No
Molecular Formula
C12H14CL2N2O4S
Molecular Weight
353.200000
Exact Mass
352.005134
InChI
InChI=1S/C12H14Cl2N2O4S/c13-8-12(17)15-11-7-9(1-2-10(11)14)21(18,19)16-3-5-20-6-4-16/h1-2,7H,3-6,8H2,(H,15,17)
InChIKey
IPBSJPNBBDIMHY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
80.38
TPSA
75.71

LogP / Solubility

WLOGP
1.54
MLOGP
1.37
XLogP3
1.1
Consensus LogP
1.34
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
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)
-3.78

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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