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CAS 1006062-27-6 O-Acetyl Losartan molecular structure lightbox
CAS RN: 1006062-27-6

O-Acetyl Losartan

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Batchno.20250411 10mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1006062-27-6
  • Purity/Analytical Methods: >99.0%
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1006062-27-6 / [2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methyl acetate

O-Acetyl Losartan | X65NI9XVQ4 | Losartan potassium specified impurity J [EP]

Standard CAS: 1006062-27-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1006062-27-6
Multi CAS
Yes
Molecular Formula
C24H25ClN6O2
Molecular Weight
464.900000
Exact Mass
464.172752
SMILES
CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)COC(=O)C)Cl
InChI
InChI=1S/C24H25ClN6O2/c1-3-4-9-22-26-23(25)21(15-33-16(2)32)31(22)14-17-10-12-18(13-11-17)19-7-5-6-8-20(19)24-27-29-30-28-24/h5-8,10-13H,3-4,9,14-15H2,1-2H3,(H,27,28,29,30)
InChIKey
HIUYRCVDCVFSBP-UHFFFAOYSA-N
Synonyms
O-Acetyl Losartan X65NI9XVQ4 Losartan potassium specified impurity J [EP] [2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methyl acetate (2-Butyl-4-chloro-1-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)-1H-imidazol-5-yl)methyl acetate

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
22
Fraction Csp3
0.29
Rotatable bonds
9
H-bond acceptors
7
H-bond donors
1
Molar refractivity
125.47
TPSA
98.58

LogP / Solubility

WLOGP
4.84
MLOGP
4.29
XLogP3
4.9
Consensus LogP
4.68
Log S (ESOL)
-5.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.87
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.78
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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