CAS RN: 154804-54-3
1,2-DIHEPTADECANOYL-SN-GLYCERO-3-PHOSPHATE SODIUM SALT
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.20250621 | 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS154804-54-3
- Purity/Analytical Methods: >99.0%
154804-54-3 / sodium [(2R)-2,3-di(heptadecanoyloxy)propyl] hydrogen phosphate
Basic Information
CAS
154804-54-3
Multi CAS
No
Molecular Formula
C37H72NaO8P
Molecular Weight
698.900000
Exact Mass
698.486251
SMILES
CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)[O-])OC(=O)CCCCCCCCCCCCCCCC.[Na+]
InChI
InChI=1S/C37H73O8P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(38)43-33-35(34-44-46(40,41)42)45-37(39)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h35H,3-34H2,1-2H3,(H2,40,41,42);/q;+1/p-1/t35-;/m1./s1
InChIKey
IAELRFKIVVBNTO-RUQJKXHKSA-M
Computed Properties
Structural Parameters
Heavy atom count
47
Fraction Csp3
0.95
Rotatable bonds
36
H-bond acceptors
7
H-bond donors
1
Molar refractivity
186.47
TPSA
122.19
LogP / Solubility
WLOGP
7.67
MLOGP
6.81
XLogP3
7.67
Consensus LogP
7.38
Log S (ESOL)
-6.63
Class (ESOL)
Insoluble
Log S (Ali)
-10.83
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.89
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.54
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
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