CAS RN: 1346133-08-1
LY-2795050
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.20260126 | 2mg / 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1346133-08-1
- Purity/Analytical Methods: >99.0%
1346133-08-1 / 3-chloro-4-[4-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy]benzamide
Basic Information
CAS
1346133-08-1
Multi CAS
No
Molecular Formula
C23H22ClN3O2
Molecular Weight
407.900000
Exact Mass
407.140055
SMILES
C1C[C@H](N(C1)CC2=CC=C(C=C2)OC3=C(C=C(C=C3)C(=O)N)Cl)C4=CN=CC=C4
InChI
InChI=1S/C23H22ClN3O2/c24-20-13-17(23(25)28)7-10-22(20)29-19-8-5-16(6-9-19)15-27-12-2-4-21(27)18-3-1-11-26-14-18/h1,3,5-11,13-14,21H,2,4,12,15H2,(H2,25,28)/t21-/m0/s1
InChIKey
LOOCZNLSXJHWTG-NRFANRHFSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
18
Fraction Csp3
0.22
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
113.11
TPSA
68.45
LogP / Solubility
WLOGP
4.96
MLOGP
4.39
XLogP3
3.7
Consensus LogP
4.35
Log S (ESOL)
-5.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.15
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)
-1.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
(S)-3-fluoro-4-(4-((2-(3-fluorophenyl)pyrrolidin-1-yl)methyl)phenoxy)benzamide
- CAS RN: 1346133-11-6
- Product Code: starshine_CAS1346133-11-6
- Purity/Analytical method: >99.0%
-
4-{2-[4-(Methoxycarbonyl)phenyl]ethyl}aniline
- CAS RN: 1346136-01-3
- Product Code: SSC-042454
-
-
-
-
3-Azaspiro[5.5]undecane-9-acetic acid, 3-[(1,1-diMethylethoxy)carbonyl]-, Methyl ester
- CAS RN: 1346229-41-1
- Product Code: starshine_CAS1346229-41-1
- Purity/Analytical method: >99.0%
![CAS 1346136-01-3 4-{2-[4-(Methoxycarbonyl)phenyl]ethyl}aniline molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1346136-01-3.gif)
![CAS 1346157-11-6 6-Methyl-imidazo[1,2-a]pyrazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1346157-11-6.gif)
![CAS 1346157-13-8 5-bromo-6-methylimidazo[1,2-a]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1346157-13-8.gif)
![CAS 1346229-41-1 3-Azaspiro[5.5]undecane-9-acetic acid, 3-[(1,1-diMethylethoxy)carbonyl]-, Methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1346229-41-1.gif)