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CAS 23887-46-9 Cinepazide molecular structure lightbox
CAS RN: 23887-46-9

Cinepazide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260430 50mg / 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS23887-46-9
  • Purity/Analytical Methods: >99.0%
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23887-46-9 / 1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

Standard CAS: 23887-46-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23887-46-9
Multi CAS
No
Molecular Formula
C22H31N3O5
Molecular Weight
417.500000
Exact Mass
417.226371
SMILES
COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCN(CC2)CC(=O)N3CCCC3
InChI
InChI=1S/C22H31N3O5/c1-28-18-14-17(15-19(29-2)22(18)30-3)6-7-20(26)25-12-10-23(11-13-25)16-21(27)24-8-4-5-9-24/h6-7,14-15H,4-5,8-13,16H2,1-3H3/b7-6+
InChIKey
RCUDFXMNPQNBDU-VOTSOKGWSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
7
H-bond acceptors
6
Molar refractivity
113.97
TPSA
71.55

LogP / Solubility

WLOGP
1.49
MLOGP
1.34
XLogP3
1.5
Consensus LogP
1.44
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.45
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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