![CAS 914260-22-3 1,3-Piperidinedicarboxylic acid, 5-[[(1,1-dimethylethoxy)carbonyl]amino]-, 1-(9H-fluoren-9-ylmethyl) ester, (3R,5S)-rel- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/914260-22-3.gif)
CAS RN: 914260-22-3
1,3-Piperidinedicarboxylic acid, 5-[[(1,1-dimethylethoxy)carbonyl]amino]-, 1-(9H-fluoren-9-ylmethyl) ester, (3R,5S)-rel-
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.20260629 | 25mg / 50mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-204499
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
914260-22-3 / 1-(9H-fluoren-9-ylmethoxycarbonyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid
Basic Information
CAS
914260-22-3
Multi CAS
Yes
Molecular Formula
C26H30N2O6
Molecular Weight
466.500000
Exact Mass
466.210387
InChI
InChI=1S/C26H30N2O6/c1-26(2,3)34-24(31)27-17-12-16(23(29)30)13-28(14-17)25(32)33-15-22-20-10-6-4-8-18(20)19-9-5-7-11-21(19)22/h4-11,16-17,22H,12-15H2,1-3H3,(H,27,31)(H,29,30)/t16-,17+/m1/s1
InChIKey
WBNNZDFYNPEJGF-SJORKVTESA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
12
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
125.54
TPSA
105.17
LogP / Solubility
WLOGP
4.24
MLOGP
3.76
XLogP3
3.7
Consensus LogP
3.9
Log S (ESOL)
-5.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.69
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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