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CAS 220551-92-8 DAA-1106 molecular structure lightbox
CAS RN: 220551-92-8

DAA-1106

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251128 100mg In stock Shanghai Inquiry
Batchno.20260204 10mg In stock Shanghai Inquiry
Batchno.20250313 250mg In stock Shanghai Inquiry
Batchno.20260422 25mg In stock Shanghai Inquiry
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  • Product code: starshine_CAS220551-92-8
  • Purity/Analytical Methods: >99.0%
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220551-92-8 / N-[(2,5-dimethoxyphenyl)methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide

Standard CAS: 220551-92-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
220551-92-8
Multi CAS
No
Molecular Formula
C23H22FNO4
Molecular Weight
395.400000
Exact Mass
395.153286
SMILES
CC(=O)N(CC1=C(C=CC(=C1)OC)OC)C2=C(C=CC(=C2)F)OC3=CC=CC=C3
InChI
InChI=1S/C23H22FNO4/c1-16(26)25(15-17-13-20(27-2)10-12-22(17)28-3)21-14-18(24)9-11-23(21)29-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3
InChIKey
DCRZYADKQRHHSF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
109.33
TPSA
48

LogP / Solubility

WLOGP
5.19
MLOGP
4.59
XLogP3
4.3
Consensus LogP
4.69
Log S (ESOL)
-5.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.55
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.38
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.45

Drug-likeness / Medicinal Chemistry

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

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