CAS RN: 207572-68-7
RILMENIDINE HEMIFUMARATE SALT
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250104 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS207572-68-7
- Purity/Analytical Methods: >99.0%
207572-68-7 / (E)-but-2-enedioic acid;bis(N-(dicyclopropylmethyl)-4,5-dihydro-1,3-oxazol-2-amine)
Basic Information
CAS
207572-68-7
Multi CAS
No
Molecular Formula
C24H36N4O6
Molecular Weight
476.600000
Exact Mass
476.263485
SMILES
C1CC1C(C2CC2)NC3=NCCO3.C1CC1C(C2CC2)NC3=NCCO3.C(=C/C(=O)O)\C(=O)O
InChI
InChI=1S/2C10H16N2O.C4H4O4/c2*1-2-7(1)9(8-3-4-8)12-10-11-5-6-13-10;5-3(6)1-2-4(7)8/h2*7-9H,1-6H2,(H,11,12);1-2H,(H,5,6)(H,7,8)/b;;2-1+
InChIKey
LZFATBMLSYHRTC-WXXKFALUSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Fraction Csp3
0.75
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
4
Molar refractivity
125.66
TPSA
141.84
LogP / Solubility
WLOGP
2.01
MLOGP
1.8
XLogP3
2.01
Consensus LogP
1.94
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.39
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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