CAS RN: 1643330-62-4
5-chloro-N-(4-(5-morpholino-6-oxo-3,6-dihydropyridin-1(2H)-yl)phenyl)pentanamide
- Product code: SSC-071760
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1643330-62-4 / 5-chloro-N-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]pentanamide
Basic Information
CAS
1643330-62-4
Multi CAS
No
Molecular Formula
C20H26ClN3O3
Molecular Weight
391.900000
Exact Mass
391.166269
SMILES
C1CN(C(=O)C(=C1)N2CCOCC2)C3=CC=C(C=C3)NC(=O)CCCCCl
InChI
InChI=1S/C20H26ClN3O3/c21-10-2-1-5-19(25)22-16-6-8-17(9-7-16)24-11-3-4-18(20(24)26)23-12-14-27-15-13-23/h4,6-9H,1-3,5,10-15H2,(H,22,25)
InChIKey
YWWKAVVYOWDKHS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
1
Molar refractivity
107.09
TPSA
61.88
LogP / Solubility
WLOGP
2.99
MLOGP
2.65
XLogP3
2.2
Consensus LogP
2.61
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.53
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.99
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
-
Methyl 2,3-dichloroquinoxaline-5-carboxylate
- CAS RN: 1643354-85-1
- Product Code: starshine_CAS1643354-85-1
- Purity/Analytical method: >99.0%
-
[1,3-Bis[2,6-bis(i-propyl)phenyl]-2-imidazolidinylidene]difluoromethylsilver(I)
- CAS RN: 1643366-13-5
- Product Code: SSC-071763
-
BMS-986142
- CAS RN: 1643368-58-4
- Product Code: starshine_CAS1643368-58-4
- Purity/Analytical method: >99.0%
-
Dabigatran Etexilate iMpurity
- CAS RN: 1643377-48-3
- Product Code: starshine_CAS1643377-48-3
- Purity/Analytical method: >99.0%
-
3-BROMO-N’-HYDROXYBENZENECARBOXIMIDAMIDE
- CAS RN: 1643440-91-8
- Product Code: starshine_CAS1643440-91-8
- Purity/Analytical method: >99.0%
-
1,3,5-Triazine, 2-[3-chloro-5-(3-pyridinyl)phenyl]-4,6-diphenyl-
- CAS RN: 1643448-24-1
- Product Code: starshine_CAS1643448-24-1
- Purity/Analytical method: >99.0%
![CAS 1643366-13-5 [1,3-Bis[2,6-bis(i-propyl)phenyl]-2-imidazolidinylidene]difluoromethylsilver(I) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1643366-13-5.gif)
![CAS 1643448-24-1 1,3,5-Triazine, 2-[3-chloro-5-(3-pyridinyl)phenyl]-4,6-diphenyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1643448-24-1.gif)