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CAS 1029684-35-2 2-Chloro-1-(tetrahydro-2H-pyran-2-yl)-1H-imidazole molecular structure lightbox
CAS RN: 1029684-35-2

2-Chloro-1-(tetrahydro-2H-pyran-2-yl)-1H-imidazole

  • Product code: SSC-004318
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1029684-35-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1029684-35-2 / 2-chloro-1-(oxan-2-yl)imidazole

2-CHLORO-1-(TETRAHYDRO-2H-PYRAN-2-YL)-1H-IMIDAZOLE | MFCD11100953 | 2-Chloro-1-(oxan-2-yl)-1H-imidazole

Standard CAS: 1029684-35-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1029684-35-2
Multi CAS
No
Molecular Formula
C8H11ClN2O
Molecular Weight
186.640000
Exact Mass
186.055991
SMILES
C1CCOC(C1)N2C=CN=C2Cl
InChI
InChI=1S/C8H11ClN2O/c9-8-10-4-5-11(8)7-3-1-2-6-12-7/h4-5,7H,1-3,6H2
InChIKey
CPSFPHUOZKDFTK-UHFFFAOYSA-N
Synonyms
2-CHLORO-1-(TETRAHYDRO-2H-PYRAN-2-YL)-1H-IMIDAZOLE MFCD11100953 2-Chloro-1-(oxan-2-yl)-1H-imidazole 2-CHLORO-1-(OXAN-2-YL)IMIDAZOLE DTXSID30670573

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
46.08
TPSA
27.05

LogP / Solubility

WLOGP
2.24
MLOGP
1.97
XLogP3
1.7
Consensus LogP
1.97
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
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)
-2.27

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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