CAS RN: 87375-91-5
Dehydronitrosonisoldipine
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.20260323 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS87375-91-5
- Purity/Analytical Methods: >99.0%
87375-91-5 / 5-O-methyl 3-O-(2-methylpropyl) 2,6-dimethyl-4-(2-nitrosophenyl)pyridine-3,5-dicarboxylate
Basic Information
CAS
87375-91-5
Multi CAS
Yes
Molecular Formula
C20H22N2O5
Molecular Weight
370.400000
Exact Mass
370.152872
InChI
InChI=1S/C20H22N2O5/c1-11(2)10-27-20(24)17-13(4)21-12(3)16(19(23)26-5)18(17)14-8-6-7-9-15(14)22-25/h6-9,11H,10H2,1-5H3
InChIKey
UNMSLPIJQICBKA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
6
H-bond acceptors
7
Molar refractivity
101.06
TPSA
94.92
LogP / Solubility
WLOGP
4.36
MLOGP
3.86
XLogP3
3.7
Consensus LogP
3.97
Log S (ESOL)
-4.82
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.41
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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- Product Code: starshine_CAS87383-23-1
- Purity/Analytical method: >99.0%
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