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CAS 672286-03-2 “DFP00173(DFP-00173)” molecular structure lightbox
CAS RN: 672286-03-2

“DFP00173(DFP-00173)”

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250227 100mg In stock Shanghai Inquiry
Batchno.20251021 10mg In stock Shanghai Inquiry
Batchno.20250108 250mg Out of stock Inquiry
Batchno.20260427 25mg In stock Shanghai Inquiry
Batchno.20260525 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS672286-03-2
  • Purity/Analytical Methods: >99.0%
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672286-03-2 / 1-(2,6-dichlorophenyl)-3-(5-nitrothiophen-3-yl)urea

Standard CAS: 672286-03-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
672286-03-2
Multi CAS
No
Molecular Formula
C11H7CL2N3O3S
Molecular Weight
332.200000
Exact Mass
330.958518
InChI
InChI=1S/C11H7Cl2N3O3S/c12-7-2-1-3-8(13)10(7)15-11(17)14-6-4-9(16(18)19)20-5-6/h1-5H,(H2,14,15,17)
InChIKey
AATXXTHMITUAOJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
11
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
80.08
TPSA
84.27

LogP / Solubility

WLOGP
4.61
MLOGP
4.07
XLogP3
3.6
Consensus LogP
4.09
Log S (ESOL)
-5.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.48

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
1.5

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