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CAS 5395-01-7 2-hydroxyethyl carbamate molecular structure lightbox
CAS RN: 5395-01-7

2-hydroxyethyl carbamate

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260320 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS5395-01-7
  • Purity/Analytical Methods: >99.0%
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5395-01-7 / 2-hydroxyethyl carbamate

Standard CAS: 5395-01-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
5395-01-7
Multi CAS
Yes
Molecular Formula
C3H7NO3
Molecular Weight
105.090000
Exact Mass
105.042593
InChI
InChI=1S/C3H7NO3/c4-3(6)7-2-1-5/h5H,1-2H2,(H2,4,6)
InChIKey
BTDQXGUEVVTAMD-UHFFFAOYSA-N

Physical Properties

Melting Point
43 °C
Boiling Point
130-135 °C
Density
1.2852 g/cc at 20 °C
Physical Description
Solid or pale yellow liquid; Deliquescent; May solidify below 30 deg C; mp = 43 deg C; [HSDB]
Appearance
Crystalline solid Clear, pale yellow, slightly viscous liquid ... may solidify at temperatures below 30 °C
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
22.62
TPSA
72.55

LogP / Solubility

WLOGP
-0.93
MLOGP
-0.83
XLogP3
-1.1
Consensus LogP
-0.95
Log S (ESOL)
0.22
Class (ESOL)
Highly soluble
Log S (Ali)
0.25
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.19
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.02

Drug-likeness / Medicinal Chemistry

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

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