CAS RN: 1322681-36-6
O-Desmethyl Mycophenolate Mofetil (Impurity A)
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.20250927 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1322681-36-6
- Purity/Analytical Methods: >99.0%
1322681-36-6 / 2-morpholin-4-ylethyl (E)-6-(4,6-dihydroxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate
Basic Information
CAS
1322681-36-6
Multi CAS
No
Molecular Formula
C22H29NO7
Molecular Weight
419.500000
Exact Mass
419.194402
SMILES
CC1=C2COC(=O)C2=C(C(=C1O)C/C=C(\C)/CCC(=O)OCCN3CCOCC3)O
InChI
InChI=1S/C22H29NO7/c1-14(4-6-18(24)29-12-9-23-7-10-28-11-8-23)3-5-16-20(25)15(2)17-13-30-22(27)19(17)21(16)26/h3,25-26H,4-13H2,1-2H3/b14-3+
InChIKey
QGQXAMBOYWULFX-LZWSPWQCSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
2
Molar refractivity
108.54
TPSA
105.53
LogP / Solubility
WLOGP
2.22
MLOGP
1.98
XLogP3
2.9
Consensus LogP
2.37
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.19
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-3.7
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
Health Hazard
Environmental Hazard
Signal
Danger
GHS Hazard Statements
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
H360D (50%): May damage the unborn child [Danger Reproductive toxicity]
H361 (50%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
H372 (50%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]
H373 (50%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P203, P260, P264, P270, P273, P280, P301+P317, P318, P319, P330, P391, P405, and P501
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