CAS RN: 799268-68-1
1-O-hexadecyl-sn-glycero-2,3-cyclic-phosphate (aMMoniuM salt)
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251018 | 1mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS799268-68-1
- Purity/Analytical Methods: >99.0%
799268-68-1 / azane;(4R)-4-(hexadecoxymethyl)-2-hydroxy-1,3,2lambda5-dioxaphospholane 2-oxide
Basic Information
CAS
799268-68-1
Multi CAS
Yes
Molecular Formula
C19H42NO5P
Molecular Weight
395.500000
Exact Mass
395.280060
InChI
InChI=1S/C19H39O5P.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-17-19-18-23-25(20,21)24-19;/h19H,2-18H2,1H3,(H,20,21);1H3/t19-;/m1./s1
InChIKey
ACJRKXHGGHOLQE-FSRHSHDFSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Fraction Csp3
1
Rotatable bonds
17
H-bond acceptors
5
H-bond donors
2
Molar refractivity
106.8
TPSA
99.99
LogP / Solubility
WLOGP
6.16
MLOGP
5.45
XLogP3
6.16
Consensus LogP
5.92
Log S (ESOL)
-5.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.39
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)
-0.76
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
3.5
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