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CAS 1334488-49-1 1-(6-Methoxy-pyriMidin-4-yl)-piperidine-4-carboxylic acid molecular structure lightbox
CAS RN: 1334488-49-1

1-(6-Methoxy-pyriMidin-4-yl)-piperidine-4-carboxylic acid

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251221 100mg In stock Shanghai Inquiry
Batchno.20251022 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20250514 1g In stock Tianjin Inquiry
Batchno.20250922 250mg In stock Shanghai, Wuhan Inquiry
  • Product code: starshine_CAS1334488-49-1
  • Purity/Analytical Methods: >99.0%
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1334488-49-1 / 1-(6-methoxypyrimidin-4-yl)piperidine-4-carboxylic acid

Standard CAS: 1334488-49-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1334488-49-1
Multi CAS
No
Molecular Formula
C11H15N3O3
Molecular Weight
237.250000
Exact Mass
237.111341
SMILES
COC1=NC=NC(=C1)N2CCC(CC2)C(=O)O
InChI
InChI=1S/C11H15N3O3/c1-17-10-6-9(12-7-13-10)14-4-2-8(3-5-14)11(15)16/h6-8H,2-5H2,1H3,(H,15,16)
InChIKey
ZBHGDAPDHFJOMY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
61.16
TPSA
75.55

LogP / Solubility

WLOGP
0.79
MLOGP
0.7
XLogP3
1
Consensus LogP
0.83
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.21
Class (SILICOS-IT)
Moderately 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)
-3.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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