[email protected]
CAS 1401618-23-2 ethyl (2S,4S)-4-methyl-2-pipecolate, 97%(HPLC) molecular structure lightbox
CAS RN: 1401618-23-2

ethyl (2S,4S)-4-methyl-2-pipecolate, 97%(HPLC)

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260202 200mg Out of stock 5-7 business days Inquiry
  • Product code: LINS926827
GET A QUOTE

1401618-23-2 / (2R,3R)-2,3-dihydroxybutanedioic acid;ethyl (2S,4S)-4-methylpiperidine-2-carboxylate

Standard CAS: 1401618-23-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1401618-23-2
Multi CAS
No
Molecular Formula
C13H23NO8
Molecular Weight
321.320000
Exact Mass
321.142367
SMILES
CCOC(=O)[C@@H]1C[C@H](CCN1)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
InChI
InChI=1S/C9H17NO2.C4H6O6/c1-3-12-9(11)8-6-7(2)4-5-10-8;5-1(3(7)8)2(6)4(9)10/h7-8,10H,3-6H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t7-,8-;1-,2-/m01/s1
InChIKey
LKQJOTYRDSQDNJ-QRJBQDOGSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.77
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
5
Molar refractivity
74.11
TPSA
153.39

LogP / Solubility

WLOGP
-1.18
MLOGP
-1.03
XLogP3
-1.18
Consensus LogP
-1.13
Log S (ESOL)
-0.76
Class (ESOL)
Very soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.37
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5

Customers Also Viewed

Get In Touch

Contact Us