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CAS 153804-05-8 PRATOSARTAN molecular structure lightbox
CAS RN: 153804-05-8

PRATOSARTAN

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250426 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS153804-05-8
  • Purity/Analytical Methods: >99.0%
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153804-05-8 / 2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6,7,8-tetrahydrocyclohepta[d]imidazol-4-one

Standard CAS: 153804-05-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
153804-05-8
Multi CAS
No
Molecular Formula
C25H26N6O
Molecular Weight
426.500000
Exact Mass
426.216809
SMILES
CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)CCCC2
InChI
InChI=1S/C25H26N6O/c1-2-7-23-26-21-10-5-6-11-22(32)24(21)31(23)16-17-12-14-18(15-13-17)19-8-3-4-9-20(19)25-27-29-30-28-25/h3-4,8-9,12-15H,2,5-7,10-11,16H2,1H3,(H,27,28,29,30)
InChIKey
KCTFTBCZZUBAKN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
22
Fraction Csp3
0.32
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
1
Molar refractivity
122.26
TPSA
89.35

LogP / Solubility

WLOGP
4.64
MLOGP
4.11
XLogP3
4.5
Consensus LogP
4.42
Log S (ESOL)
-5.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7
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
Leadlikeness
No
Synthetic Accessibility
3.5

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