CAS RN: 1135242-13-5
VU 0357017 hydrochloride
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.20260308 | 5mg / 10mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1135242-13-5
- Purity/Analytical Methods: >99.0%
1135242-13-5 / ethyl 4-[2-[(2-methylbenzoyl)amino]ethylamino]piperidine-1-carboxylate;hydrochloride
VU 0357017 Hydrochloride | vu0357017 hydrochloride | VU0357017
Basic Information
CAS
1135242-13-5
Multi CAS
No
Molecular Formula
C18H28ClN3O3
Molecular Weight
369.900000
Exact Mass
369.181920
SMILES
CCOC(=O)N1CCC(CC1)NCCNC(=O)C2=CC=CC=C2C.Cl
InChI
InChI=1S/C18H27N3O3.ClH/c1-3-24-18(23)21-12-8-15(9-13-21)19-10-11-20-17(22)16-7-5-4-6-14(16)2;/h4-7,15,19H,3,8-13H2,1-2H3,(H,20,22);1H
InChIKey
XKJQVUIXSBOCPP-UHFFFAOYSA-N
Synonyms
VU 0357017 Hydrochloride
vu0357017 hydrochloride
VU0357017
VU0357017 HCl
ethyl 4-(2-(2-methylbenzamido)ethylamino)piperidine-1-carboxylate hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
100.38
TPSA
70.67
LogP / Solubility
WLOGP
2.36
MLOGP
2.09
XLogP3
2.36
Consensus LogP
2.27
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.74
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
No
Log Kp (skin permeation)
-3.3
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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