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CAS 114798-36-6 Losartan Carboxaldehyde molecular structure lightbox
CAS RN: 114798-36-6

Losartan Carboxaldehyde

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250920 100mg In stock Shanghai Inquiry
Batchno.20250917 25mg In stock Shanghai Inquiry
Batchno.20260404 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS114798-36-6
  • Purity/Analytical Methods: >99.0%
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114798-36-6 / 2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carbaldehyde

Losartan Carboxaldehyde | DUP-167 | EXP-3179

Standard CAS: 114798-36-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
114798-36-6
Multi CAS
Yes
Molecular Formula
C22H21ClN6O
Molecular Weight
420.900000
Exact Mass
420.146537
SMILES
CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C=O)Cl
InChI
InChI=1S/C22H21ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,14H,2-3,8,13H2,1H3,(H,25,26,27,28)
InChIKey
FQZSMTSTFMNWQF-UHFFFAOYSA-N
Synonyms
Losartan Carboxaldehyde DUP-167 EXP-3179 KJ52CU0VV6 1H-Imidazole-5-carboxaldehyde, 2-butyl-4-chloro-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
22
Fraction Csp3
0.23
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
1
Molar refractivity
115.39
TPSA
89.35

LogP / Solubility

WLOGP
4.59
MLOGP
4.06
XLogP3
4.9
Consensus LogP
4.52
Log S (ESOL)
-5.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.16
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)
-2.03

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
3

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