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CAS 34506-67-7 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE molecular structure lightbox
CAS RN: 34506-67-7

1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE

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4 package records3 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250331 25mg / 100mg / 500mg Confirm by inquiry Shanghai, Guangdong Inquiry
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Batchno.20250507 100mg In stock Inquiry
Batchno.20260505 25mg In stock Inquiry
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Batchno.20250817 25mg Out of stock Inquiry
  • Product code: starshine_CAS34506-67-7
  • Purity/Analytical Methods: >99.0%
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34506-67-7 / 2,3-di(hexanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate

Standard CAS: 34506-67-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
34506-67-7
Multi CAS
Yes
Molecular Formula
C20H40NO8P
Molecular Weight
453.500000
Exact Mass
453.249154
InChI
InChI=1S/C20H40NO8P/c1-6-8-10-12-19(22)26-16-18(29-20(23)13-11-9-7-2)17-28-30(24,25)27-15-14-21(3,4)5/h18H,6-17H2,1-5H3/t18-/m1/s1
InChIKey
DVZARZBAWHITHR-GOSISDBHSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Fraction Csp3
0.9
Rotatable bonds
18
H-bond acceptors
8
Molar refractivity
111.53
TPSA
111.19

LogP / Solubility

WLOGP
2.81
MLOGP
2.5
XLogP3
2.6
Consensus LogP
2.64
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.1
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-3.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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