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CAS 186800-61-3 L-ALPHA-PHOSPHATIDYL-ETHANOLAMINE DIPALMITOYL, N-SUCCINYL SODIUM SALT molecular structure lightbox
CAS RN: 186800-61-3

L-ALPHA-PHOSPHATIDYL-ETHANOLAMINE DIPALMITOYL, N-SUCCINYL SODIUM SALT

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250603 100mg In stock Inquiry
Batchno.20250114 200mg In stock Inquiry
Batchno.20251205 25mg In stock Inquiry
Batchno.20260319 5mg Out of stock Inquiry
  • Product code: SSC-086829
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g
  • Available purity: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 186800-61-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞95% 0 Out of Stock Shenzhen Inquiry

186800-61-3 / sodium 2-(3-carboxypropanoylamino)ethyl [(2R)-2,3-di(hexadecanoyloxy)propyl] phosphate

Standard CAS: 186800-61-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
186800-61-3
Multi CAS
No
Molecular Formula
C41H77NNaO11P
Molecular Weight
814.000000
Exact Mass
813.513194
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCC(=O)O)OC(=O)CCCCCCCCCCCCCCC.[Na+]
InChI
InChI=1S/C41H78NO11P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-40(46)50-35-37(36-52-54(48,49)51-34-33-42-38(43)31-32-39(44)45)53-41(47)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h37H,3-36H2,1-2H3,(H,42,43)(H,44,45)(H,48,49);/q;+1/p-1/t37-;/m1./s1
InChIKey
CSBBOJBLMMDIFP-GKEJWYBXSA-M

Computed Properties

Structural Parameters

Heavy atom count
55
Fraction Csp3
0.9
Rotatable bonds
41
H-bond acceptors
10
H-bond donors
2
Molar refractivity
210.85
TPSA
177.59

LogP / Solubility

WLOGP
6.89
MLOGP
6.14
XLogP3
6.89
Consensus LogP
6.64
Log S (ESOL)
-6.52
Class (ESOL)
Insoluble
Log S (Ali)
-11.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.59
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)
-2.79

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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