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CAS 1722-14-1 4-Chloro-6-piperidin-1-yl-pyrimidine molecular structure lightbox
CAS RN: 1722-14-1

4-Chloro-6-piperidin-1-yl-pyrimidine

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1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260407 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1722-14-1
  • Purity/Analytical Methods: >99.0%
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1722-14-1 / 4-chloro-6-piperidin-1-ylpyrimidine

Standard CAS: 1722-14-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1722-14-1
Multi CAS
No
Molecular Formula
C9H12ClN3
Molecular Weight
197.660000
Exact Mass
197.071975
SMILES
C1CCN(CC1)C2=CC(=NC=N2)Cl
InChI
InChI=1S/C9H12ClN3/c10-8-6-9(12-7-11-8)13-4-2-1-3-5-13/h6-7H,1-5H2
InChIKey
MJONHQHUVJXBRU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
53.11
TPSA
29.02

LogP / Solubility

WLOGP
2.12
MLOGP
1.87
XLogP3
2.5
Consensus LogP
2.16
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
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)
-2.42

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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