[email protected]
CAS 137428-09-2 2-CARBOXYMETHYL-PIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTER molecular structure lightbox
CAS RN: 137428-09-2

2-CARBOXYMETHYL-PIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTER

  • Product code: SSC-046983
GET A QUOTE
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: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 137428-09-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

137428-09-2 / 2-(1-phenylmethoxycarbonylpiperidin-2-yl)acetic acid

Standard CAS: 137428-09-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
137428-09-2
Multi CAS
No
Molecular Formula
C15H19NO4
Molecular Weight
277.310000
Exact Mass
277.131408
SMILES
C1CCN(C(C1)CC(=O)O)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C15H19NO4/c17-14(18)10-13-8-4-5-9-16(13)15(19)20-11-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,17,18)
InChIKey
ZANJKHCIKGQECV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
73.22
TPSA
66.84

LogP / Solubility

WLOGP
2.65
MLOGP
2.34
XLogP3
2
Consensus LogP
2.33
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.14
Class (SILICOS-IT)
Slightly 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)
-2.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us