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CAS 1623481-80-0 ML381(VU0488130) molecular structure lightbox
CAS RN: 1623481-80-0

ML381(VU0488130)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251222 1mg / 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1623481-80-0
  • Purity/Analytical Methods: >99.0%
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1623481-80-0 / 5-[(3-acetylphenoxy)methyl]-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]-1,2-oxazole-3-carboxamide

Standard CAS: 1623481-80-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1623481-80-0
Multi CAS
No
Molecular Formula
C21H21N3O4
Molecular Weight
379.400000
Exact Mass
379.153206
SMILES
C[C@@H](C1=CC=CC=N1)N(C)C(=O)C2=NOC(=C2)COC3=CC=CC(=C3)C(=O)C
InChI
InChI=1S/C21H21N3O4/c1-14(19-9-4-5-10-22-19)24(3)21(26)20-12-18(28-23-20)13-27-17-8-6-7-16(11-17)15(2)25/h4-12,14H,13H2,1-3H3/t14-/m0/s1
InChIKey
JMYDHMCYZKRDPD-AWEZNQCLSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
17
Fraction Csp3
0.24
Rotatable bonds
7
H-bond acceptors
6
Molar refractivity
102.03
TPSA
85.53

LogP / Solubility

WLOGP
3.68
MLOGP
3.26
XLogP3
2.2
Consensus LogP
3.05
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.02
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.42

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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