CAS RN: 1418741-86-2
UNC 1079
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.20250119 | 1mg / 5mg / 10mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1418741-86-2
- Purity/Analytical Methods: >99.0%
1418741-86-2 / [4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
Basic Information
CAS
1418741-86-2
Multi CAS
No
Molecular Formula
C28H42N4O2
Molecular Weight
466.700000
Exact Mass
466.330777
SMILES
C1CCN(CC1)C2CCN(CC2)C(=O)C3=CC=C(C=C3)C(=O)N4CCC(CC4)N5CCCCC5
InChI
InChI=1S/C28H42N4O2/c33-27(31-19-11-25(12-20-31)29-15-3-1-4-16-29)23-7-9-24(10-8-23)28(34)32-21-13-26(14-22-32)30-17-5-2-6-18-30/h7-10,25-26H,1-6,11-22H2
InChIKey
HOUMUCTZMMLNTR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
6
Fraction Csp3
0.71
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
135.14
TPSA
47.1
LogP / Solubility
WLOGP
3.87
MLOGP
3.44
XLogP3
3.7
Consensus LogP
3.67
Log S (ESOL)
-5.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.38
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
![CAS 1418747-15-5 1-Azetidinecarboxylic acid, 3-[(3,4-dihydro-4-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-, 1,1-dimethylethyl ester molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
1-Azetidinecarboxylic acid, 3-[(3,4-dihydro-4-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-, 1,1-dimethylethyl ester
- CAS RN: 1418747-15-5
- Product Code: starshine_CAS1418747-15-5
- Purity/Analytical method: >99.0%
-
(S)-1-(4-Fluorophenyl)ethylaMine (hydrochloride)
- CAS RN: 1419073-74-7
- Product Code: SSC-052577
-
4-(1,3,4-Oxadiazol-2-yl)-1-piperidinecarboxylic acid 1,1-dimethylethyl ester
- CAS RN: 1419075-88-9
- Product Code: SSC-052578
-
N-methyl-N-[(3S)-piperidin-3-yl]methanesulfonamide
- CAS RN: 1419075-89-0
- Product Code: SSC-052579
-
“CarbaMic acid, N-Methyl-N-[(3S,4S)-4-Methyl-3-piperidinyl]-, 1,1-diMethylethyl ester, rel-“
- CAS RN: 1419075-90-3
- Product Code: SSC-052580
-
![CAS 1418747-15-5 1-Azetidinecarboxylic acid, 3-[(3,4-dihydro-4-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1418747-15-5.gif)
![CAS 1419075-89-0 N-methyl-N-[(3S)-piperidin-3-yl]methanesulfonamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1419075-89-0.gif)
![CAS 1419075-90-3 “CarbaMic acid, N-Methyl-N-[(3S,4S)-4-Methyl-3-piperidinyl]-, 1,1-diMethylethyl ester, rel-“ molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1419075-90-3.gif)
![CAS 1419075-98-1 [(3S)-1-methylpyrrolidin-3-yl]methanamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1419075-98-1.gif)