CAS RN: 309913-83-5
talmapimod
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260129 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS309913-83-5
- Purity/Analytical Methods: >99.0%
309913-83-5 / 2-[6-chloro-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide
Basic Information
CAS
309913-83-5
Multi CAS
Yes
Molecular Formula
C27H30CLFN4O3
Molecular Weight
513.000000
Exact Mass
512.199047
InChI
InChI=1S/C27H30ClFN4O3/c1-16-13-33(17(2)12-32(16)14-18-6-8-19(29)9-7-18)26(35)21-10-20-22(25(34)27(36)30(3)4)15-31(5)24(20)11-23(21)28/h6-11,15-17H,12-14H2,1-5H3/t16-,17+/m0/s1
InChIKey
ZMELOYOKMZBMRB-DLBZAZTESA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
15
Fraction Csp3
0.37
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
137.72
TPSA
65.86
LogP / Solubility
WLOGP
3.98
MLOGP
3.54
XLogP3
3.7
Consensus LogP
3.74
Log S (ESOL)
-5.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.9
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
Customers Also Viewed
-
Talmapimod HCl
- CAS RN: 309915-12-6
- Product Code: starshine_CAS309915-12-6
- Purity/Analytical method: >99.0%
-
(2R,5S)-2,5-DIMETHYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
- CAS RN: 309915-46-6
- Product Code: SSC-136176
-
-
-
R-3,3′-bis[4-(2-naphthalenyl)phenyl]-1,1′-Binaphthalene]-2,2′-diol
- CAS RN: 309934-86-9
- Product Code: starshine_CAS309934-86-9
- Purity/Analytical method: >99.0%
-
S-3,3′-bis[4-(2-naphthalenyl)phenyl]-1,1′-Binaphthalene]-2,2′-diol
- CAS RN: 309934-87-0
- Product Code: starshine_CAS309934-87-0
- Purity/Analytical method: >99.0%
.gif)
![CAS 309934-86-9 R-3,3′-bis[4-(2-naphthalenyl)phenyl]-1,1′-Binaphthalene]-2,2′-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/309934-86-9.gif)
![CAS 309934-87-0 S-3,3′-bis[4-(2-naphthalenyl)phenyl]-1,1′-Binaphthalene]-2,2′-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/309934-87-0.gif)