CAS RN: 841-67-8
(-)-THALIDOMIDE
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
- Product code: starshine_CAS841-67-8
- Purity/Analytical Methods: >99.0%
841-67-8 / 2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Basic Information
CAS
841-67-8
Multi CAS
Yes
Molecular Formula
C13H10N2O4
Molecular Weight
258.230000
Exact Mass
258.064057
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)
InChIKey
UEJJHQNACJXSKW-UHFFFAOYSA-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
Customers Also Viewed
-
bucolome
- CAS RN: 841-73-6
- Product Code: starshine_CAS841-73-6
- Purity/Analytical method: >99.0%
-
7 8-DIHYDROXY-4-PHENYLCOUMARIN
- CAS RN: 842-01-3
- Product Code: starshine_CAS842-01-3
- Purity/Analytical method: >99.0%
-
disodium 7-hydroxynaphthalene-1,3-disulphonate
- CAS RN: 842-19-3
- Product Code: starshine_CAS842-19-3
- Purity/Analytical method: >99.0%
-
Di-p-tolyl-phosphate
- CAS RN: 843-24-3
- Product Code: starshine_CAS843-24-3
- Purity/Analytical method: >99.0%
-
DIETHYL 2,5-DIOXOBICYCLO[2.2.2]OCTANE-1,4-DICARBOXYLATE
- CAS RN: 843-59-4
- Product Code: SSC-191840
-
(4-chlorophenyl)[2-chloro-4-(hydroxyimino)-5-methylcyclohexa-2,5-dien-1-ylidene]acetonitrile
- CAS RN: 844-24-6
- Product Code: SSC-191908
![CAS 843-59-4 DIETHYL 2,5-DIOXOBICYCLO[2.2.2]OCTANE-1,4-DICARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/843-59-4.gif)
![CAS 844-24-6 (4-chlorophenyl)[2-chloro-4-(hydroxyimino)-5-methylcyclohexa-2,5-dien-1-ylidene]acetonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/844-24-6.gif)