CAS RN: 144750-73-2
1,2-BIS(10,12-TRICOSADIYNOYL)-SN-GLYCERO-3-PHOSPHOETHANOLAMINE
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: starshine_CAS144750-73-2
- Purity/Analytical Methods: >99.0%
144750-73-2 / [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-tricosa-10,12-diynoyloxypropyl] tricosa-10,12-diynoate
Basic Information
CAS
144750-73-2
Multi CAS
No
Molecular Formula
C51H86NO8P
Molecular Weight
872.200000
Exact Mass
871.609106
SMILES
CCCCCCCCCCC#CC#CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCC#CC#CCCCCCCCCCC
InChI
InChI=1S/C51H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-50(53)57-47-49(48-59-61(55,56)58-46-45-52)60-51(54)44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h49H,3-20,29-48,52H2,1-2H3,(H,55,56)/t49-/m1/s1
InChIKey
ZBLCBXGAYXHPIY-ANFMRNGASA-N
Computed Properties
Structural Parameters
Heavy atom count
61
Fraction Csp3
0.8
Rotatable bonds
41
H-bond acceptors
8
H-bond donors
2
Molar refractivity
251.05
TPSA
134.38
LogP / Solubility
WLOGP
12.85
MLOGP
11.39
XLogP3
14.1
Consensus LogP
12.78
Log S (ESOL)
-10.64
Class (ESOL)
Insoluble
Log S (Ali)
-15.99
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-20.92
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
1.08
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
Customers Also Viewed
-
![CAS 144750-83-4 3-IODO-1,5-DIHYDRO-4H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
3-IODO-1,5-DIHYDRO-4H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE
- CAS RN: 144750-83-4
- Product Code: SSC-056003
-
1-phenyl-2,5,8,11-tetraoxatridecan-13-oic acid(WXPC0028)
- CAS RN: 144751-75-7
- Product Code: SSC-056005
-
-
Brachyside heptaacetate
- CAS RN: 144765-80-0
- Product Code: starshine_CAS144765-80-0
- Purity/Analytical method: >99.0%
-
3-CHLORO-4-METHYLBENZENESULFINIC ACID SODIUM SALT
- CAS RN: 144772-86-1
- Product Code: SSC-056045
-
4-(TRIFLUOROMETHYL)PHENYLGLYCINE
- CAS RN: 144789-75-3
- Product Code: starshine_CAS144789-75-3
- Purity/Analytical method: >99.0%
![CAS 144750-83-4 3-IODO-1,5-DIHYDRO-4H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/144750-83-4.gif)
![CAS 144759-10-4 1-[2-(DIFLUOROMETHOXY)PHENYL]ETHANAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/144759-10-4.gif)
