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CAS 1644667-61-7 methyl4-((2S,4S)-4-ethoxypiperidin-2-yl)benzoate molecular structure lightbox
CAS RN: 1644667-61-7

methyl4-((2S,4S)-4-ethoxypiperidin-2-yl)benzoate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250104 100mg / 250mg / 500mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-071912
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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: 0.1g
  • Available purity: ＞97%
  • 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 1644667-61-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Beijing Inquiry

1644667-61-7 / methyl 4-[(2S,4S)-4-ethoxypiperidin-2-yl]benzoate

Standard CAS: 1644667-61-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1644667-61-7
Multi CAS
No
Molecular Formula
C15H21NO3
Molecular Weight
263.330000
Exact Mass
263.152144
SMILES
CCO[C@H]1CCN[C@@H](C1)C2=CC=C(C=C2)C(=O)OC
InChI
InChI=1S/C15H21NO3/c1-3-19-13-8-9-16-14(10-13)11-4-6-12(7-5-11)15(17)18-2/h4-7,13-14,16H,3,8-10H2,1-2H3/t13-,14-/m0/s1
InChIKey
DZNZBIFPILZUCT-KBPBESRZSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
73.17
TPSA
47.56

LogP / Solubility

WLOGP
2.3
MLOGP
2.03
XLogP3
2
Consensus LogP
2.11
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
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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