CAS RN: 25209-66-9
N-N-bis(2-hydroxyethyl)formamide
Product Availability
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS25209-66-9
- Purity/Analytical Methods: >99.0%
25209-66-9 / N,N-bis(2-hydroxyethyl)formamide
Basic Information
CAS
25209-66-9
Multi CAS
No
Molecular Formula
C5H11NO3
Molecular Weight
133.150000
Exact Mass
133.073893
SMILES
C(CO)N(CCO)C=O
InChI
InChI=1S/C5H11NO3/c7-3-1-6(5-9)2-4-8/h5,7-8H,1-4H2
InChIKey
AGQSGSYOSSBGLI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
31.81
TPSA
60.77
LogP / Solubility
WLOGP
-1.57
MLOGP
-1.39
XLogP3
-1.6
Consensus LogP
-1.52
Log S (ESOL)
0.65
Class (ESOL)
Highly soluble
Log S (Ali)
0.48
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.18
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-4.65
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
1.5
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