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CAS 1997319-84-2 1-Piperazinecarboxylic acid, 4-[3-amino-6-(2-hydroxyphenyl)-4-pyridazinyl]-, 1,1-dimethylethyl ester molecular structure lightbox
CAS RN: 1997319-84-2

1-Piperazinecarboxylic acid, 4-[3-amino-6-(2-hydroxyphenyl)-4-pyridazinyl]-, 1,1-dimethylethyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250516 5mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-094008
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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: 0.1g
  • 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 1997319-84-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

1997319-84-2 / tert-butyl 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate

Standard CAS: 1997319-84-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1997319-84-2
Multi CAS
No
Molecular Formula
C19H25N5O3
Molecular Weight
371.400000
Exact Mass
371.195740
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=NN=C2N)C3=CC=CC=C3O
InChI
InChI=1S/C19H25N5O3/c1-19(2,3)27-18(26)24-10-8-23(9-11-24)15-12-14(21-22-17(15)20)13-6-4-5-7-16(13)25/h4-7,12,25H,8-11H2,1-3H3,(H2,20,22)
InChIKey
AQTNUGRRZDRZIA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
2
Molar refractivity
103.57
TPSA
104.81

LogP / Solubility

WLOGP
2.49
MLOGP
2.21
XLogP3
1.6
Consensus LogP
2.1
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.38
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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