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CAS 123606-23-5 N-1-(fur-3-ylethyl)-N-hydroxyurea molecular structure lightbox
CAS RN: 123606-23-5

N-1-(fur-3-ylethyl)-N-hydroxyurea

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Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250225 10mg / 25mg / 50mg / 100mg Confirm by inquiry Shanghai 30 business days Inquiry
  • Product code: starshine_CAS123606-23-5
  • Purity/Analytical Methods: >99.0%
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123606-23-5 / 1-[1-(furan-3-yl)ethyl]-1-hydroxyurea

Standard CAS: 123606-23-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
123606-23-5
Multi CAS
No
Molecular Formula
C7H10N2O3
Molecular Weight
170.170000
Exact Mass
170.069142
SMILES
CC(C1=COC=C1)N(C(=O)N)O
InChI
InChI=1S/C7H10N2O3/c1-5(9(11)7(8)10)6-2-3-12-4-6/h2-5,11H,1H3,(H2,8,10)
InChIKey
PEYZZHBZAUNXCI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
40.33
TPSA
79.7

LogP / Solubility

WLOGP
1.11
MLOGP
0.97
XLogP3
-0.4
Consensus LogP
0.56
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
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)
-2.97

Drug-likeness / Medicinal Chemistry

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

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