![CAS 174606-16-7 1-[(TERT-BUTYL)OXYCARBONYL]-3-(4-CHLOROBENZYL)PIPERIDINE-3-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/174606-16-7.gif)
CAS RN: 174606-16-7
1-[(TERT-BUTYL)OXYCARBONYL]-3-(4-CHLOROBENZYL)PIPERIDINE-3-CARBOXYLIC ACID
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250704 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS174606-16-7
- Purity/Analytical Methods: >99.0%
174606-16-7 / 3-[(4-chlorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
Basic Information
CAS
174606-16-7
Multi CAS
No
Molecular Formula
C18H24ClNO4
Molecular Weight
353.800000
Exact Mass
353.139386
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)(CC2=CC=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C18H24ClNO4/c1-17(2,3)24-16(23)20-10-4-9-18(12-20,15(21)22)11-13-5-7-14(19)8-6-13/h5-8H,4,9-12H2,1-3H3,(H,21,22)
InChIKey
NFBWLXLJPIEKQE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
92.27
TPSA
66.84
LogP / Solubility
WLOGP
3.98
MLOGP
3.52
XLogP3
3.5
Consensus LogP
3.67
Log S (ESOL)
-4.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.63
Class (SILICOS-IT)
Slightly soluble
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)
-2.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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- Product Code: starshine_CAS174634-08-3
- Purity/Analytical method: >99.0%
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