CAS RN: 2160555-53-1
4-cyano CUMYL-BUT7AICA
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.20250130 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2160555-53-1
- Purity/Analytical Methods: >99.0%
2160555-53-1 / 1-(4-cyanobutyl)-N-(2-phenylpropan-2-yl)pyrrolo[2,3-b]pyridine-3-carboxamide
Basic Information
CAS
2160555-53-1
Multi CAS
No
Molecular Formula
C22H24N4O
Molecular Weight
360.500000
Exact Mass
360.195011
SMILES
CC(C)(C1=CC=CC=C1)NC(=O)C2=CN(C3=C2C=CC=N3)CCCCC#N
InChI
InChI=1S/C22H24N4O/c1-22(2,17-10-5-3-6-11-17)25-21(27)19-16-26(15-8-4-7-13-23)20-18(19)12-9-14-24-20/h3,5-6,9-12,14,16H,4,7-8,15H2,1-2H3,(H,25,27)
InChIKey
DYPZVGXELGJCHD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
15
Fraction Csp3
0.32
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
1
Molar refractivity
106.13
TPSA
70.71
LogP / Solubility
WLOGP
4.4
MLOGP
3.89
XLogP3
3
Consensus LogP
3.76
Log S (ESOL)
-4.79
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.49
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
5-bromo-4-(4-chlorothiophen-2-yl)thiazol-2-amine
- CAS RN: 2161380-87-4
- Product Code: SSC-103581
-
3-((4-Bromo-1H-pyrazol-1-yl)methyl)-5-chloropyridine
- CAS RN: 2161578-76-1
- Product Code: SSC-103588
-
(3AR,6aR)-rel-1H-Furo[3,4-c]pyrrole-3a(6aH)-carboxylic acid
- CAS RN: 2162117-48-6
- Product Code: starshine_CAS2162117-48-6
- Purity/Analytical method: >99.0%
-
4-[(4-Aminobutyl)amino]-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione HCl
- CAS RN: 2162120-73-0
- Product Code: SSC-103611
-
-
S(R)]-N-[(S)-[5-(Diphenylphosphino)-9,9-dimethyl-9H-xanthen-4-yl]phenylmethyl]-2-methyl-2-propanesulfinamide
- CAS RN: 2162939-87-7
- Product Code: SSC-103636
![CAS 2162117-48-6 (3AR,6aR)-rel-1H-Furo[3,4-c]pyrrole-3a(6aH)-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2162117-48-6.png)
![CAS 2162120-73-0 4-[(4-Aminobutyl)amino]-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione HCl molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2162120-73-0-20260826.gif)
![CAS 2162939-87-7 S(R)]-N-[(S)-[5-(Diphenylphosphino)-9,9-dimethyl-9H-xanthen-4-yl]phenylmethyl]-2-methyl-2-propanesulfinamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2162939-87-7.png)