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CAS 1394808-82-2 SUVN-G3031 molecular structure lightbox
CAS RN: 1394808-82-2

SUVN-G3031

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Batchno.20260423 100mg In stock Inquiry
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  • Product code: starshine_CAS1394808-82-2
  • Purity/Analytical Methods: >99.0%
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1394808-82-2 / N-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-morpholin-4-ylacetamide

Standard CAS: 1394808-82-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1394808-82-2
Multi CAS
No
Molecular Formula
C21H31N3O3
Molecular Weight
373.500000
Exact Mass
373.236542
SMILES
C1CC(C1)N2CCC(CC2)OC3=CC=C(C=C3)NC(=O)CN4CCOCC4
InChI
InChI=1S/C21H31N3O3/c25-21(16-23-12-14-26-15-13-23)22-17-4-6-19(7-5-17)27-20-8-10-24(11-9-20)18-2-1-3-18/h4-7,18,20H,1-3,8-16H2,(H,22,25)
InChIKey
LNXDUSQEXVQFGP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
105.19
TPSA
54.04

LogP / Solubility

WLOGP
2.35
MLOGP
2.09
XLogP3
2.3
Consensus LogP
2.25
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.76
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.33

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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