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CAS 577778-86-0 2-[(1,1-diMethylethoxy)carbonyl]hydrazide, 1-oxide molecular structure lightbox
CAS RN: 577778-86-0

2-[(1,1-diMethylethoxy)carbonyl]hydrazide, 1-oxide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250504 25g / 100g / 500g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS577778-86-0
  • Purity/Analytical Methods: >99.0%
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577778-86-0 / tert-butyl N-[(1-oxidopyridin-1-ium-4-carbonyl)amino]carbamate

Standard CAS: 577778-86-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
577778-86-0
Multi CAS
Yes
Molecular Formula
C11H15N3O4
Molecular Weight
253.250000
Exact Mass
253.106256
InChI
InChI=1S/C11H15N3O4/c1-11(2,3)18-10(16)13-12-9(15)8-4-6-14(17)7-5-8/h4-7H,1-3H3,(H,12,15)(H,13,16)
InChIKey
CSFUUUAPTXTBPN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
62.24
TPSA
94.37

LogP / Solubility

WLOGP
0.49
MLOGP
0.44
Consensus LogP
0.31
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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