CAS RN: 1322681-37-7
O-Methyl Mycophenolate Mofetil (EP Impurity D)
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.20260408 | 1mg / 5mg / 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1322681-37-7
- Purity/Analytical Methods: >99.0%
1322681-37-7 / 2-morpholin-4-ylethyl (E)-6-(4,6-dimethoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate
Basic Information
CAS
1322681-37-7
Multi CAS
No
Molecular Formula
C24H33NO7
Molecular Weight
447.500000
Exact Mass
447.225702
SMILES
CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)OCCN3CCOCC3)OC
InChI
InChI=1S/C24H33NO7/c1-16(6-8-20(26)31-14-11-25-9-12-30-13-10-25)5-7-18-22(28-3)17(2)19-15-32-24(27)21(19)23(18)29-4/h5H,6-15H2,1-4H3/b16-5+
InChIKey
KOEZVGVALFAIMS-FZSIALSZSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
6
Fraction Csp3
0.58
Rotatable bonds
10
H-bond acceptors
8
Molar refractivity
118.32
TPSA
83.53
LogP / Solubility
WLOGP
2.83
MLOGP
2.52
XLogP3
3
Consensus LogP
2.78
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.12
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P264, P270, P273, P301+P317, P330, P391, and P501
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