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CAS 1246820-62-1 Losartan-d4 Carboxylic Acid molecular structure lightbox
CAS RN: 1246820-62-1

Losartan-d4 Carboxylic Acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260627 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1246820-62-1
  • Purity/Analytical Methods: >99.0%
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1246820-62-1 / 2-butyl-5-chloro-3-[[2,3,5,6-tetradeuterio-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid

Standard CAS: 1246820-62-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1246820-62-1
Multi CAS
No
Molecular Formula
C22H21ClN6O2
Molecular Weight
440.900000
Exact Mass
440.166559
SMILES
[2H]C1=C(C(=C(C(=C1CN2C(=NC(=C2C(=O)O)Cl)CCCC)[2H])[2H])C3=CC=CC=C3C4=NNN=N4)[2H]
InChI
InChI=1S/C22H21ClN6O2/c1-2-3-8-18-24-20(23)19(22(30)31)29(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)21-25-27-28-26-21/h4-7,9-12H,2-3,8,13H2,1H3,(H,30,31)(H,25,26,27,28)/i9D,10D,11D,12D
InChIKey
ZEUXAIYYDDCIRX-IRYCTXJYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
22
Fraction Csp3
0.23
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
2
Molar refractivity
116.96
TPSA
109.58

LogP / Solubility

WLOGP
4.47
MLOGP
3.96
XLogP3
5
Consensus LogP
4.48
Log S (ESOL)
-5.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.17
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)
-2.21

Drug-likeness / Medicinal Chemistry

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

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