CAS RN: 309915-12-6
Talmapimod HCl
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250329 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS309915-12-6
- Purity/Analytical Methods: >99.0%
309915-12-6 / 2-[6-chloro-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;hydrochloride
Basic Information
CAS
309915-12-6
Multi CAS
Yes
Molecular Formula
C27H31CL2FN4O3
Molecular Weight
549.500000
Exact Mass
548.175724
InChI
InChI=1S/C27H30ClFN4O3.ClH/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;1H/t16-,17+;/m0./s1
InChIKey
FOJUFGQLUOOBQP-MCJVGQIASA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
15
Fraction Csp3
0.37
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
144.97
TPSA
65.86
LogP / Solubility
WLOGP
4.4
MLOGP
3.91
XLogP3
4.4
Consensus LogP
4.24
Log S (ESOL)
-5.99
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.48
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)
-2.95
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
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![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)
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