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CAS 62600-81-1 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphate molecular structure lightbox
CAS RN: 62600-81-1

1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphate

  • Product code: SSC-171869
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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: 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 62600-81-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

62600-81-1 / (1-hexadecanoyloxy-3-phosphonooxypropan-2-yl) octadec-9-enoate

Standard CAS: 62600-81-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
62600-81-1
Multi CAS
Yes
Molecular Formula
C37H71O8P
Molecular Weight
674.900000
Exact Mass
674.488656
InChI
InChI=1S/C37H71O8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(39)45-35(34-44-46(40,41)42)33-43-36(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35H,3-16,19-34H2,1-2H3,(H2,40,41,42)/b18-17-/t35-/m1/s1
InChIKey
OPVZUEPSMJNLOM-QEJMHMKOSA-N

Computed Properties

Structural Parameters

Heavy atom count
46
Fraction Csp3
0.89
Rotatable bonds
35
H-bond acceptors
6
H-bond donors
2
Molar refractivity
188.6
TPSA
119.36

LogP / Solubility

WLOGP
11.07
MLOGP
9.8
XLogP3
13.1
Consensus LogP
11.32
Log S (ESOL)
-8.69
Class (ESOL)
Insoluble
Log S (Ali)
-13.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.43
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)
1.02

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
4.5

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