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CAS 168050-63-3 CIS-1-(BENZYLOXYCARBONYL)-5-METHYLPIPERIDINE-3-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 168050-63-3

CIS-1-(BENZYLOXYCARBONYL)-5-METHYLPIPERIDINE-3-CARBOXYLIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250630 100mg / 250mg Out of stock 1 business days Inquiry
  • Product code: SSC-073288
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 168050-63-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

168050-63-3 / (3R,5S)-5-methyl-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid

Standard CAS: 168050-63-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
168050-63-3
Multi CAS
No
Molecular Formula
C15H19NO4
Molecular Weight
277.310000
Exact Mass
277.131408
SMILES
C[C@H]1C[C@H](CN(C1)C(=O)OCC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C15H19NO4/c1-11-7-13(14(17)18)9-16(8-11)15(19)20-10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,17,18)/t11-,13+/m1/s1
InChIKey
SOYXQVSBDHHRLV-YPMHNXCESA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
73.11
TPSA
66.84

LogP / Solubility

WLOGP
2.37
MLOGP
2.09
XLogP3
2.1
Consensus LogP
2.19
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.79
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)
-2.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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