![CAS 863029-99-6 4-[[3-Chloro-4-[(1-methyl-1H-imidazol-2-yl)thio]phenyl]amino]-6-methoxy-7-[4-(1-pyrrolidinyl)-1-piperidinyl]-3-quinolinecarbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2026/07/863029-99-6.png)
CAS RN: 863029-99-6
4-[[3-Chloro-4-[(1-methyl-1H-imidazol-2-yl)thio]phenyl]amino]-6-methoxy-7-[4-(1-pyrrolidinyl)-1-piperidinyl]-3-quinolinecarbonitrile
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251228 | 1mg / 5mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
863029-99-6 / 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-6-methoxy-7-(4-pyrrolidin-1-ylpiperidin-1-yl)quinoline-3-carbonitrile
Balamapimod | MKI-833 | Balamapimod [USAN]
Basic Information
CAS
863029-99-6
Multi CAS
No
Molecular Formula
C30H32CLN7OS
Molecular Weight
574.100000
Exact Mass
573.207758
SMILES
CN1C=CN=C1SC2=C(C=C(C=C2)NC3=C(C=NC4=CC(=C(C=C43)OC)N5CCC(CC5)N6CCCC6)C#N)Cl
InChI
InChI=1S/C30H32ClN7OS/c1-36-14-9-33-30(36)40-28-6-5-21(15-24(28)31)35-29-20(18-32)19-34-25-17-26(27(39-2)16-23(25)29)38-12-7-22(8-13-38)37-10-3-4-11-37/h5-6,9,14-17,19,22H,3-4,7-8,10-13H2,1-2H3,(H,34,35)
InChIKey
CVAKNHIXTWLGJO-UHFFFAOYSA-N
Synonyms
Balamapimod
MKI-833
Balamapimod [USAN]
Balamapimod [USAN:INN]
UNII-7Y0IV7N95Q
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
21
Fraction Csp3
0.37
Rotatable bonds
7
H-bond acceptors
9
H-bond donors
1
Molar refractivity
161.12
TPSA
82.24
LogP / Solubility
WLOGP
6.46
MLOGP
5.73
XLogP3
6.3
Consensus LogP
6.16
Log S (ESOL)
-7.4
Class (ESOL)
Insoluble
Log S (Ali)
-8.93
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.59
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.63
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5
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