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CAS 676129-92-3 Valsartan Desvaleryl Impurity molecular structure lightbox
CAS RN: 676129-92-3

Valsartan Desvaleryl Impurity

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251228 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS676129-92-3
  • Purity/Analytical Methods: >99.0%
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676129-92-3 / (2S)-3-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]butanoic acid

Standard CAS: 676129-92-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
676129-92-3
Multi CAS
Yes
Molecular Formula
C19H21N5O2
Molecular Weight
351.400000
Exact Mass
351.169525
InChI
InChI=1S/C19H21N5O2/c1-12(2)17(19(25)26)20-11-13-7-9-14(10-8-13)15-5-3-4-6-16(15)18-21-23-24-22-18/h3-10,12,17,20H,11H2,1-2H3,(H,25,26)(H,21,22,23,24)/t17-/m0/s1
InChIKey
NSXSCTCKWRSTHJ-KRWDZBQOSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
17
Fraction Csp3
0.26
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
3
Molar refractivity
98.15
TPSA
103.79

LogP / Solubility

WLOGP
2.73
MLOGP
2.42
XLogP3
0.8
Consensus LogP
1.98
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.05
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.92

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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