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CAS 1076223-99-8 1-Piperidinecarboxylic acid, 4-(4-bromo-5-methyl-1H-pyrazol-1-yl)-, 1,1-dimethylethyl ester molecular structure lightbox
CAS RN: 1076223-99-8

1-Piperidinecarboxylic acid, 4-(4-bromo-5-methyl-1H-pyrazol-1-yl)-, 1,1-dimethylethyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260305 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-009124
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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, 5g
  • 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 1076223-99-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1076223-99-8 / tert-butyl 4-(4-bromo-5-methylpyrazol-1-yl)piperidine-1-carboxylate

tert-butyl 4-(4-bromo-5-methylpyrazol-1-yl)piperidine-1-carboxylate | tert-butyl 4-(4-bromo-5-methyl-pyrazol-1-yl)piperidine-1-carboxylate | MFCD26395502

Standard CAS: 1076223-99-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1076223-99-8
Multi CAS
No
Molecular Formula
C14H22BrN3O2
Molecular Weight
344.250000
Exact Mass
343.089540
SMILES
CC1=C(C=NN1C2CCN(CC2)C(=O)OC(C)(C)C)Br
InChI
InChI=1S/C14H22BrN3O2/c1-10-12(15)9-16-18(10)11-5-7-17(8-6-11)13(19)20-14(2,3)4/h9,11H,5-8H2,1-4H3
InChIKey
CMZCIVZMQCWOEK-UHFFFAOYSA-N
Synonyms
tert-butyl 4-(4-bromo-5-methylpyrazol-1-yl)piperidine-1-carboxylate tert-butyl 4-(4-bromo-5-methyl-pyrazol-1-yl)piperidine-1-carboxylate MFCD26395502 tert-Butyl 4-(4-bromo-5-methyl-1H-pyrazol-1-yl)piperidine-1-carboxylate SCHEMBL2386226

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
5
Fraction Csp3
0.71
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
80.74
TPSA
47.36

LogP / Solubility

WLOGP
3.53
MLOGP
3.12
XLogP3
2.7
Consensus LogP
3.12
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.94
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.32

Drug-likeness / Medicinal Chemistry

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

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