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CAS 1394808-20-8 SUVN-G3031 hydrochloride molecular structure lightbox
CAS RN: 1394808-20-8

SUVN-G3031 hydrochloride

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250323 1mg In stock Shanghai Inquiry
Batchno.20251210 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1394808-20-8
  • Purity/Analytical Methods: >99.0%
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1394808-20-8 / N-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-morpholin-4-ylacetamide;dihydrochloride

Standard CAS: 1394808-20-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1394808-20-8
Multi CAS
No
Molecular Formula
C21H33Cl2N3O3
Molecular Weight
446.400000
Exact Mass
445.189897
SMILES
C1CC(C1)N2CCC(CC2)OC3=CC=C(C=C3)NC(=O)CN4CCOCC4.Cl.Cl
InChI
InChI=1S/C21H31N3O3.2ClH/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);2*1H
InChIKey
LCPQCTBHZPMVFX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
119.69
TPSA
54.04

LogP / Solubility

WLOGP
3.2
MLOGP
2.84
XLogP3
3.2
Consensus LogP
3.08
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.93
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
Yes
Log Kp (skin permeation)
-3.17

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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