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CAS 192819-27-5 CDC801 molecular structure lightbox
CAS RN: 192819-27-5

CDC801

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251002 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS192819-27-5
  • Purity/Analytical Methods: >99.0%
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192819-27-5 / 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide

Standard CAS: 192819-27-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
192819-27-5
Multi CAS
No
Molecular Formula
C23H24N2O5
Molecular Weight
408.400000
Exact Mass
408.168522
SMILES
COC1=C(C=C(C=C1)C(CC(=O)N)N2C(=O)C3=CC=CC=C3C2=O)OC4CCCC4
InChI
InChI=1S/C23H24N2O5/c1-29-19-11-10-14(12-20(19)30-15-6-2-3-7-15)18(13-21(24)26)25-22(27)16-8-4-5-9-17(16)23(25)28/h4-5,8-12,15,18H,2-3,6-7,13H2,1H3,(H2,24,26)
InChIKey
DDYUBCCTNHWSQM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
1
Molar refractivity
109.37
TPSA
98.93

LogP / Solubility

WLOGP
3.23
MLOGP
2.87
XLogP3
2.5
Consensus LogP
2.87
Log S (ESOL)
-4.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.84
Class (SILICOS-IT)
Slightly soluble

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)
-2.92

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
3.5

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