CAS RN: 519177-07-2
1,3-Di-O-benzyl-2-O-lauroylglycerol
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.20250408 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: ICTD3524
- Purity/Analytical Methods: >85.0%(GC)
519177-07-2 / 1,3-bis(phenylmethoxy)propan-2-yl dodecanoate
Basic Information
CAS
519177-07-2
Multi CAS
No
Molecular Formula
C29H42O4
Molecular Weight
454.600000
Exact Mass
454.308310
InChI
InChI=1S/C29H42O4/c1-2-3-4-5-6-7-8-9-16-21-29(30)33-28(24-31-22-26-17-12-10-13-18-26)25-32-23-27-19-14-11-15-20-27/h10-15,17-20,28H,2-9,16,21-25H2,1H3
InChIKey
HMRAWECRZFFMJY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.55
Rotatable bonds
19
H-bond acceptors
4
Molar refractivity
133.92
TPSA
44.76
LogP / Solubility
WLOGP
7.25
MLOGP
6.41
XLogP3
8
Consensus LogP
7.22
Log S (ESOL)
-6.24
Class (ESOL)
Insoluble
Log S (Ali)
-8.52
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.91
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
