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CAS 167626-17-7 OPC-28326 molecular structure lightbox
CAS RN: 167626-17-7

OPC-28326

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250919 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS167626-17-7
  • Purity/Analytical Methods: >99.0%
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167626-17-7 / N-[2,6-dimethyl-4-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]phenyl]propanamide

Standard CAS: 167626-17-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
167626-17-7
Multi CAS
No
Molecular Formula
C26H35N3O2
Molecular Weight
421.600000
Exact Mass
421.272927
SMILES
CCC(=O)NC1=C(C=C(C=C1C)C(=O)N2CCC(CC2)N(C)CCC3=CC=CC=C3)C
InChI
InChI=1S/C26H35N3O2/c1-5-24(30)27-25-19(2)17-22(18-20(25)3)26(31)29-15-12-23(13-16-29)28(4)14-11-21-9-7-6-8-10-21/h6-10,17-18,23H,5,11-16H2,1-4H3,(H,27,30)
InChIKey
BESKMDLUOAVUJF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.46
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
126.54
TPSA
52.65

LogP / Solubility

WLOGP
4.43
MLOGP
3.93
XLogP3
4.3
Consensus LogP
4.22
Log S (ESOL)
-5.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.92
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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