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CAS 1190060-37-7 1H-Pyrazole-4-carboxylic acid, 3-iodo-1-(tetrahydro-2H-pyran-2-yl)-, ethyl ester molecular structure lightbox
CAS RN: 1190060-37-7

1H-Pyrazole-4-carboxylic acid, 3-iodo-1-(tetrahydro-2H-pyran-2-yl)-, ethyl ester

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260126 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-019278
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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: ＞97%
  • 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 1190060-37-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1190060-37-7 / ethyl 3-iodo-1-(oxan-2-yl)pyrazole-4-carboxylate

ethyl 3-iodo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole-4-carboxylate | MFCD19443479 | ethyl 3-iodo-1-(oxan-2-yl)pyrazole-4-carboxylate

Standard CAS: 1190060-37-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1190060-37-7
Multi CAS
No
Molecular Formula
C11H15IN2O3
Molecular Weight
350.150000
Exact Mass
350.012740
SMILES
CCOC(=O)C1=CN(N=C1I)C2CCCCO2
InChI
InChI=1S/C11H15IN2O3/c1-2-16-11(15)8-7-14(13-10(8)12)9-5-3-4-6-17-9/h7,9H,2-6H2,1H3
InChIKey
VURQQDXNTZYAMN-UHFFFAOYSA-N
Synonyms
ethyl 3-iodo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole-4-carboxylate MFCD19443479 ethyl 3-iodo-1-(oxan-2-yl)pyrazole-4-carboxylate 3-Iodo-1-(tetrahydro-pyran-2-yl)-1H-pyrazole-4-carboxylic acid ethyl ester ethyl 3-iodo-1-tetrahydropyran-2-yl-pyrazole-4-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.64
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
69.74
TPSA
53.35

LogP / Solubility

WLOGP
2.36
MLOGP
2.1
XLogP3
1.9
Consensus LogP
2.12
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.26
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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