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CAS 1034148-04-3 AZD5423 molecular structure lightbox
CAS RN: 1034148-04-3

AZD5423

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Batchno.20251226 5mg / 25mg Out of stock 5-7 business days Inquiry
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  • Product code: starshine_CAS1034148-04-3
  • Purity/Analytical Methods: >99.0%
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1034148-04-3 / 2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]acetamide

AZD-5423 | AZD 5423 | 2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]acetamide

Standard CAS: 1034148-04-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1034148-04-3
Multi CAS
Yes
Molecular Formula
C25H21F4N3O3
Molecular Weight
487.400000
Exact Mass
487.151904
SMILES
C[C@@H]([C@@H](C1=CC(=CC=C1)OC)OC2=CC3=C(C=C2)N(N=C3)C4=CC=C(C=C4)F)NC(=O)C(F)(F)F
InChI
InChI=1S/C25H21F4N3O3/c1-15(31-24(33)25(27,28)29)23(16-4-3-5-20(12-16)34-2)35-21-10-11-22-17(13-21)14-30-32(22)19-8-6-18(26)7-9-19/h3-15,23H,1-2H3,(H,31,33)/t15-,23-/m0/s1
InChIKey
FCNQMDSJHADDFT-WNSKOXEYSA-N
Synonyms
AZD-5423 AZD 5423 2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]acetamide 641H0Q518W DTXSID40145823

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
21
Fraction Csp3
0.2
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
1
Molar refractivity
121.05
TPSA
65.38

LogP / Solubility

WLOGP
5.36
MLOGP
4.75
XLogP3
5.7
Consensus LogP
5.27
Log S (ESOL)
-6.22
Class (ESOL)
Insoluble
Log S (Ali)
-7.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.12
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)
-1.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

Safety & Transport

Pictogram(s)
Health Hazard
Signal
Danger
GHS Hazard Statements
H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity] H372 (100%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P203, P260, P264, P270, P280, P318, P319, P405, and P501

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