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CAS 1243329-97-6 CC 5013 hydrochloride molecular structure lightbox
CAS RN: 1243329-97-6

CC 5013 hydrochloride

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260215 50mg / 100mg Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260402 100mg Out of stock Inquiry
  • Product code: starshine_CAS1243329-97-6
  • Purity/Analytical Methods: >99.0%
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1243329-97-6 / 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride

Standard CAS: 1243329-97-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1243329-97-6
Multi CAS
No
Molecular Formula
C13H14ClN3O3
Molecular Weight
295.720000
Exact Mass
295.072369
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N.Cl
InChI
InChI=1S/C13H13N3O3.ClH/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18;/h1-3,10H,4-6,14H2,(H,15,17,18);1H
InChIKey
RYWZLJSDFZVVTD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.31
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
74.15
TPSA
92.5

LogP / Solubility

WLOGP
0.45
MLOGP
0.41
XLogP3
0.45
Consensus LogP
0.44
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.08
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Health Hazard
Signal
Danger
GHS Hazard Statements
H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity] H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P203, P260, P280, P318, P319, P405, and P501

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