![CAS 287399-47-7 1-Piperidineacetic acid, 4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-, butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/287399-47-7.png)
CAS RN: 287399-47-7
1-Piperidineacetic acid, 4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-, butyl ester
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260601 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS287399-47-7
- Purity/Analytical Methods: >99.0%
287399-47-7 / butyl 2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]piperidin-1-yl]acetate
Basic Information
CAS
287399-47-7
Multi CAS
No
Molecular Formula
C19H28ClN3O4
Molecular Weight
397.900000
Exact Mass
397.176834
SMILES
CCCCOC(=O)CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2OC)N)Cl
InChI
InChI=1S/C19H28ClN3O4/c1-3-4-9-27-18(24)12-23-7-5-13(6-8-23)22-19(25)14-10-15(20)16(21)11-17(14)26-2/h10-11,13H,3-9,12,21H2,1-2H3,(H,22,25)
InChIKey
AQMLPMSSCWTNNN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.58
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
2
Molar refractivity
105.21
TPSA
93.89
LogP / Solubility
WLOGP
2.47
MLOGP
2.2
XLogP3
2.9
Consensus LogP
2.52
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.26
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.39
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
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