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CAS 4043-87-2 DL-Pipecolinic acid molecular structure lightbox
CAS RN: 4043-87-2

DL-Pipecolinic acid

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251125 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: starshine_CAS4043-87-2
  • Purity/Analytical Methods: >99.0%
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4043-87-2 / piperidine-2-carboxylic acid

Standard CAS: 4043-87-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
4043-87-2
Multi CAS
Yes
Molecular Formula
C6H11NO2
Molecular Weight
129.160000
Exact Mass
129.078979
InChI
InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)
InChIKey
HXEACLLIILLPRG-UHFFFAOYSA-N

Physical Properties

Melting Point
264 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
33.28
TPSA
49.33

LogP / Solubility

WLOGP
0.21
MLOGP
0.18
XLogP3
-2.3
Consensus LogP
-0.64
Log S (ESOL)
-0.71
Class (ESOL)
Very soluble
Log S (Ali)
-0.77
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.8
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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