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CAS 7770-09-4 1,3-DIMYRISTIN (C14:0) molecular structure lightbox
CAS RN: 7770-09-4

1,3-DIMYRISTIN (C14:0)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260320 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS7770-09-4
  • Purity/Analytical Methods: >99.0%
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7770-09-4 / (2-hydroxy-3-tetradecanoyloxypropyl) tetradecanoate

Standard CAS: 7770-09-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
7770-09-4
Multi CAS
Yes
Molecular Formula
C31H60O5
Molecular Weight
512.800000
Exact Mass
512.444075
InChI
InChI=1S/C31H60O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(33)35-27-29(32)28-36-31(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h29,32H,3-28H2,1-2H3
InChIKey
JADYBWICRJWGBW-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
36
Fraction Csp3
0.94
Rotatable bonds
28
H-bond acceptors
5
H-bond donors
1
Molar refractivity
150.08
TPSA
72.83

LogP / Solubility

WLOGP
8.84
MLOGP
7.81
XLogP3
11.9
Consensus LogP
9.52
Log S (ESOL)
-6.74
Class (ESOL)
Insoluble
Log S (Ali)
-10.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.69
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.43

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

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