CAS RN: 85409-38-7
Rilmenidine phosphate
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6 package records5 with current stock3 grade groups
- Product code: starshine_CAS85409-38-7
- Purity/Analytical Methods: >99.0%
85409-38-7 / N-(dicyclopropylmethyl)-4,5-dihydro-1,3-oxazol-2-amine;phosphoric acid
Basic Information
CAS
85409-38-7
Multi CAS
Yes
Molecular Formula
C10H19N2O5P
Molecular Weight
278.240000
Exact Mass
278.103159
InChI
InChI=1S/C10H16N2O.H3O4P/c1-2-7(1)9(8-3-4-8)12-10-11-5-6-13-10;1-5(2,3)4/h7-9H,1-6H2,(H,11,12);(H3,1,2,3,4)
InChIKey
ZJCOWRFWZOAVFY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.9
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
4
Molar refractivity
64.89
TPSA
111.38
LogP / Solubility
WLOGP
0.22
MLOGP
0.2
XLogP3
0.22
Consensus LogP
0.21
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.01
Class (SILICOS-IT)
Moderately 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)
-4.26
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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