CAS RN: 1217863-02-9
1,4-piperidinedicarboxylic acid, 4-propyl-, 1-(1,1-dimethy
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.20250507 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1217863-02-9
- Purity/Analytical Methods: >99.0%
1217863-02-9 / 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propylpiperidine-4-carboxylic acid
Basic Information
CAS
1217863-02-9
Multi CAS
No
Molecular Formula
C14H25NO4
Molecular Weight
271.350000
Exact Mass
271.178358
SMILES
CCCC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C14H25NO4/c1-5-6-14(11(16)17)7-9-15(10-8-14)12(18)19-13(2,3)4/h5-10H2,1-4H3,(H,16,17)
InChIKey
XGKHJZQIVNPLSM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
72.02
TPSA
66.84
LogP / Solubility
WLOGP
2.89
MLOGP
2.55
XLogP3
2.4
Consensus LogP
2.61
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.18
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Customers Also Viewed
-
1H-pyrazole-3-carboxylic acid, 1-(cyanomethyl)-, ethyl est
- CAS RN: 1217863-08-5
- Product Code: SSC-024561
-
9-Methyl-3-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole
- CAS RN: 1217891-71-8
- Product Code: starshine_CAS1217891-71-8
- Purity/Analytical method: >99.0%
-
S-3,3′-Bis(4-(1,1-diMethylethyl)phenyl)-1,1′-binaphthyl-2,2′-diyl hydrogenphosphate
- CAS RN: 1217901-32-0
- Product Code: SSC-024568
-
-
-
(R)-1-Cbz-3-(aMinoMethyl)piperidine
- CAS RN: 1217977-11-1
- Product Code: starshine_CAS1217977-11-1
- Purity/Analytical method: >99.0%
