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CAS 1932189-29-1 (3R,6S)-1-(tert-butoxycarbonyl)-6-methylpiperidine-3-carboxylic acid molecular structure lightbox
CAS RN: 1932189-29-1

(3R,6S)-1-(tert-butoxycarbonyl)-6-methylpiperidine-3-carboxylic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260505 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1932189-29-1
  • Purity/Analytical Methods: >99.0%
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1932189-29-1 / (3R,6S)-6-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid

Standard CAS: 1932189-29-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1932189-29-1
Multi CAS
No
Molecular Formula
C12H21NO4
Molecular Weight
243.300000
Exact Mass
243.147058
SMILES
C[C@H]1CC[C@H](CN1C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C12H21NO4/c1-8-5-6-9(10(14)15)7-13(8)11(16)17-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,14,15)/t8-,9+/m0/s1
InChIKey
TZCMQIKRCZLVQN-DTWKUNHWSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.76
TPSA
66.84

LogP / Solubility

WLOGP
2.11
MLOGP
1.86
XLogP3
1.6
Consensus LogP
1.86
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.11
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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