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CAS 70897-27-7 L-A-PHOSPHATIDYLCHOLINE DIHEPTADECANOYL SYNTHETIC molecular structure lightbox
CAS RN: 70897-27-7

L-A-PHOSPHATIDYLCHOLINE DIHEPTADECANOYL SYNTHETIC

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250611 100mg In stock Shandong Inquiry
Batchno.20250220 25mg In stock Shanghai, Shandong Inquiry
Batchno.20250921 5mg In stock Shanghai, Shandong, Guangdong Inquiry
  • Product code: starshine_CAS70897-27-7
  • Purity/Analytical Methods: >99.0%
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70897-27-7 / 2,3-di(heptadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate

Standard CAS: 70897-27-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
70897-27-7
Multi CAS
Yes
Molecular Formula
C42H84NO8P
Molecular Weight
762.100000
Exact Mass
761.593456
InChI
InChI=1S/C42H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3/t40-/m1/s1
InChIKey
RTWAYAIMWLNAJW-RRHRGVEJSA-N

Computed Properties

Structural Parameters

Heavy atom count
52
Fraction Csp3
0.95
Rotatable bonds
40
H-bond acceptors
8
Molar refractivity
213.11
TPSA
111.19

LogP / Solubility

WLOGP
11.39
MLOGP
10.09
XLogP3
14.5
Consensus LogP
11.99
Log S (ESOL)
-9.1
Class (ESOL)
Insoluble
Log S (Ali)
-14.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.87
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)
0.72

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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