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CAS 283159-90-0 valiphenal molecular structure lightbox
CAS RN: 283159-90-0

valiphenal

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260617 10mg / 25mg / 100mg Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS283159-90-0
  • Purity/Analytical Methods: >99.0%
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283159-90-0 / methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate

Standard CAS: 283159-90-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
283159-90-0
Multi CAS
Yes
Molecular Formula
C19H27CLN2O5
Molecular Weight
398.900000
Exact Mass
398.160850
InChI
InChI=1S/C19H27ClN2O5/c1-11(2)17(22-19(25)27-12(3)4)18(24)21-15(10-16(23)26-5)13-6-8-14(20)9-7-13/h6-9,11-12,15,17H,10H2,1-5H3,(H,21,24)(H,22,25)/t15?,17-/m0/s1
InChIKey
DBXFMOWZRXXBRN-LWKPJOBUSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
2
Molar refractivity
102.35
TPSA
93.73

LogP / Solubility

WLOGP
3.22
MLOGP
2.86
XLogP3
3.4
Consensus LogP
3.16
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.89
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.87

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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