CAS RN: 1027710-16-2
Cis-Ethyl 3-Phenylpiperidine-4-Carboxylate Hydrochloride(WX160179A)
- Product code: SSC-004120
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, 5g, 1g, 10g
- Available purity: >95%
- Inventory rows with stock: 5
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >95% | 5 In Stock | Beijing | Inquiry |
| 0.25g | >95% | 5 In Stock | Beijing | Inquiry |
| 5g | >95% | 3 In Stock | Shanghai | Inquiry |
| 1g | >95% | 2 In Stock | Shenzhen | Inquiry |
| 10g | >95% | 1 In Stock | Hong Kong | Inquiry |
1027710-16-2 / ethyl (3R,4S)-3-phenylpiperidine-4-carboxylate;hydrochloride
ethyl (3S,4R)-3-phenylpiperidine-4-carboxylate | SMR000033808 | MLS000047803
Basic Information
CAS
1027710-16-2
Multi CAS
Yes
Molecular Formula
C14H20ClNO2
Molecular Weight
269.770000
Exact Mass
269.118257
SMILES
CCOC(=O)[C@H]1CCNC[C@H]1C2=CC=CC=C2.Cl
InChI
InChI=1S/C14H19NO2.ClH/c1-2-17-14(16)12-8-9-15-10-13(12)11-6-4-3-5-7-11;/h3-7,12-13,15H,2,8-10H2,1H3;1H/t12-,13-;/m0./s1
InChIKey
BLNBLWBHPDETJV-QNTKWALQSA-N
Synonyms
ethyl (3S,4R)-3-phenylpiperidine-4-carboxylate
SMR000033808
MLS000047803
CHEMBL1468308
AKOS027428795
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
74.04
TPSA
38.33
LogP / Solubility
WLOGP
2.36
MLOGP
2.09
XLogP3
2.36
Consensus LogP
2.27
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
Class (SILICOS-IT)
Poorly 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)
-2.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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