![CAS 1044553-58-3 2,3-Bis[(2R,5R)-2,5-diMethylphospholano]-N-(3,5-diMethylphenyl)MaleiMide molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1044553-58-3.png)
CAS RN: 1044553-58-3
2,3-Bis[(2R,5R)-2,5-diMethylphospholano]-N-(3,5-diMethylphenyl)MaleiMide
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250409 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: LINB919791
1044553-58-3 / 1-(3,5-dimethylphenyl)-3,4-bis[(2R,5R)-2,5-dimethylphospholan-1-yl]pyrrole-2,5-dione
1-(3,5-Dimethylphenyl)-3,4-bis((2R,5R)-2,5-dimethylphospholan-1-yl)-1H-pyrrole-2,5-dione | 2,3-Bis[(2R,5R)-2,5-dimethylphospholano]-N-(3,5-dimethylphenyl)maleimide | 1-(3,5-dimethylphenyl)-3,4-bis[(2R,5R)-2,5-dimethylphospholan-1-yl]pyrrole-2,5-dione
Basic Information
CAS
1044553-58-3
Multi CAS
Yes
Molecular Formula
C24H33NO2P2
Molecular Weight
429.500000
Exact Mass
429.198653
SMILES
C[C@@H]1CC[C@H](P1C2=C(C(=O)N(C2=O)C3=CC(=CC(=C3)C)C)P4[C@@H](CC[C@H]4C)C)C
InChI
InChI=1S/C24H33NO2P2/c1-14-11-15(2)13-20(12-14)25-23(26)21(28-16(3)7-8-17(28)4)22(24(25)27)29-18(5)9-10-19(29)6/h11-13,16-19H,7-10H2,1-6H3/t16-,17-,18-,19-/m1/s1
InChIKey
ODYDZUFLMKTRIF-NCXUSEDFSA-N
Synonyms
1-(3,5-Dimethylphenyl)-3,4-bis((2R,5R)-2,5-dimethylphospholan-1-yl)-1H-pyrrole-2,5-dione
2,3-Bis[(2R,5R)-2,5-dimethylphospholano]-N-(3,5-dimethylphenyl)maleimide
1-(3,5-dimethylphenyl)-3,4-bis[(2R,5R)-2,5-dimethylphospholan-1-yl]pyrrole-2,5-dione
SCHEMBL13240528
catASium(R) MNXyl(R), 3,4-Bis[(2R,5R)-2,5-dimethylphospholanyl]-1-(3,5-dimethylphenyl)-1H-pyrrol-2,5-dione
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
6
Fraction Csp3
0.58
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
125.59
TPSA
37.38
LogP / Solubility
WLOGP
6.49
MLOGP
5.74
XLogP3
4
Consensus LogP
5.41
Log S (ESOL)
-6.55
Class (ESOL)
Insoluble
Log S (Ali)
-7.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.2
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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