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CAS 74398-71-3 CASTOR OIL GLYCIDYL ETHER molecular structure lightbox
CAS RN: 74398-71-3

CASTOR OIL GLYCIDYL ETHER

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260113 100g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS74398-71-3
  • Purity/Analytical Methods: >99.0%
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74398-71-3 / 2,3-bis[[(E)-12-(oxiran-2-ylmethoxy)octadec-9-enoyl]oxy]propyl (E)-12-(oxiran-2-ylmethoxy)octadec-9-enoate

Standard CAS: 74398-71-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
74398-71-3
Multi CAS
Yes
Molecular Formula
C66H116O12
Molecular Weight
1101.600000
Exact Mass
1100.846679
InChI
InChI=1S/C66H116O12/c1-4-7-10-31-40-57(70-49-60-52-73-60)43-34-25-19-13-16-22-28-37-46-64(67)76-55-63(78-66(69)48-39-30-24-18-15-21-27-36-45-59(42-33-12-9-6-3)72-51-62-54-75-62)56-77-65(68)47-38-29-23-17-14-20-26-35-44-58(41-32-11-8-5-2)71-50-61-53-74-61/h25-27,34-36,57-63H,4-24,28-33,37-56H2,1-3H3/b34-25+,35-26+,36-27+
InChIKey
ZFJYZDDXGKWNCH-GXCCKLQBSA-N

Computed Properties

Structural Parameters

Heavy atom count
78
Fraction Csp3
0.86
Rotatable bonds
59
H-bond acceptors
12
Molar refractivity
314.74
TPSA
144.18

LogP / Solubility

WLOGP
16.28
MLOGP
14.43
XLogP3
18.5
Consensus LogP
16.4
Log S (ESOL)
-13.03
Class (ESOL)
Insoluble
Log S (Ali)
-20.35
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-27.41
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)
2.12

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
7

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