![CAS 207726-35-0 4-[(4-Chlorophenyl)-2-pyridinylmethoxy]-1-piperidinecarboxylic acid ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/207726-35-0.gif)
CAS RN: 207726-35-0
4-[(4-Chlorophenyl)-2-pyridinylmethoxy]-1-piperidinecarboxylic acid ethyl ester
- Product code: SSC-097738
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
207726-35-0 / ethyl 4-[(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidine-1-carboxylate
Basic Information
CAS
207726-35-0
Multi CAS
No
Molecular Formula
C20H23ClN2O3
Molecular Weight
374.900000
Exact Mass
374.139720
SMILES
CCOC(=O)N1CCC(CC1)OC(C2=CC=C(C=C2)Cl)C3=CC=CC=N3
InChI
InChI=1S/C20H23ClN2O3/c1-2-25-20(24)23-13-10-17(11-14-23)26-19(18-5-3-4-12-22-18)15-6-8-16(21)9-7-15/h3-9,12,17,19H,2,10-11,13-14H2,1H3
InChIKey
IGEIRAKLLHYWTQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
100.23
TPSA
51.66
LogP / Solubility
WLOGP
4.46
MLOGP
3.95
XLogP3
3.7
Consensus LogP
4.04
Log S (ESOL)
-4.99
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.4
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.84
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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