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CAS 99347-10-1 ETHYL N-[(5-AMINO-1-PHENYL-1H-PYRAZOL-4-YL)CARBONYL]ETHANEHYDRAZONOATE molecular structure lightbox
CAS RN: 99347-10-1

ETHYL N-[(5-AMINO-1-PHENYL-1H-PYRAZOL-4-YL)CARBONYL]ETHANEHYDRAZONOATE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250826 1g / 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS99347-10-1
  • Purity/Analytical Methods: >99.0%
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99347-10-1 / ethyl N-(5-amino-1-phenylpyrazole-4-carbonyl)ethanehydrazonate

Standard CAS: 99347-10-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
99347-10-1
Multi CAS
Yes
Molecular Formula
C14H17N5O2
Molecular Weight
287.320000
Exact Mass
287.138225
InChI
InChI=1S/C14H17N5O2/c1-3-21-10(2)17-18-14(20)12-9-16-19(13(12)15)11-7-5-4-6-8-11/h4-9H,3,15H2,1-2H3,(H,18,20)
InChIKey
LCGQSAQHSIXDBZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
11
Fraction Csp3
0.21
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
80.18
TPSA
94.53

LogP / Solubility

WLOGP
1.55
MLOGP
1.38
XLogP3
2.1
Consensus LogP
1.68
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.3
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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