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CAS 2614-06-4 (R)-(+)-THALIDOMIDE molecular structure lightbox
CAS RN: 2614-06-4

(R)-(+)-THALIDOMIDE

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4 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250416 25mg Out of stock Inquiry
Batchno.20260410 5mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251111 25mg In stock Shanghai Inquiry
Batchno.20260210 5mg In stock Shanghai, Shandong Inquiry
  • Product code: starshine_CAS2614-06-4
  • Purity/Analytical Methods: >99.0%
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2614-06-4 / 2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

Standard CAS: 2614-06-4 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2614-06-4
Multi CAS
No
Molecular Formula
C13H10N2O4
Molecular Weight
258.230000
Exact Mass
258.064057
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)/t9-/m1/s1
InChIKey
UEJJHQNACJXSKW-SECBINFHSA-N

Physical Properties

Melting Point
516 to 520 °F (NTP, 1992) 270 °C
Physical Description
Thalidomide appears as needles or white powder. (NTP, 1992) Solid
Appearance
Needles
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.23
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
63.11
TPSA
83.55

LogP / Solubility

WLOGP
0.09
MLOGP
0.08
XLogP3
0.3
Consensus LogP
0.16
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.53
Class (SILICOS-IT)
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)
-4.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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