![CAS 210095-58-2 2-[(S)-(4-Chlorophenyl)(4-piperidinyloxy)methyl]pyridine (2R,3R)-2,3-Dihydroxybutanedioate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/210095-58-2.gif)
CAS RN: 210095-58-2
2-[(S)-(4-Chlorophenyl)(4-piperidinyloxy)methyl]pyridine (2R,3R)-2,3-Dihydroxybutanedioate
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.20250920 | 250mg / 1g / 5g / 10g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-099899
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: 10g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 10g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
210095-58-2 / 2-[(S)-(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine;(2R,3R)-2,3-dihydroxybutanedioic acid
Basic Information
CAS
210095-58-2
Multi CAS
No
Molecular Formula
C21H25ClN2O7
Molecular Weight
452.900000
Exact Mass
452.135029
SMILES
C1CNCCC1O[C@@H](C2=CC=C(C=C2)Cl)C3=CC=CC=N3.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
InChI
InChI=1S/C17H19ClN2O.C4H6O6/c18-14-6-4-13(5-7-14)17(16-3-1-2-10-20-16)21-15-8-11-19-12-9-15;5-1(3(7)8)2(6)4(9)10/h1-7,10,15,17,19H,8-9,11-12H2;1-2,5-6H,(H,7,8)(H,9,10)/t17-;1-,2-/m01/s1
InChIKey
MLVGFEZTZHIUGZ-YRSVLNEHSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
5
Molar refractivity
111.79
TPSA
149.21
LogP / Solubility
WLOGP
1.47
MLOGP
1.32
XLogP3
1.47
Consensus LogP
1.42
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.66
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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