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CAS 6084-76-0 TRANS-9,10-EPOXYSTEARIC ACID METHYL ESTER molecular structure lightbox
CAS RN: 6084-76-0

TRANS-9,10-EPOXYSTEARIC ACID METHYL ESTER

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4 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250923 100g Out of stock Inquiry
Batchno.20250910 25g Out of stock Inquiry
Batchno.20260427 500g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250822 25g / 100g / 500g / 2.5kg Confirm by inquiry Guangdong, Chongqing, Hebei, Shanghai, Shandong Inquiry
  • Product code: starshine_CAS6084-76-0
  • Purity/Analytical Methods: >99.0%
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6084-76-0 / methyl 8-(3-octyloxiran-2-yl)octanoate

Standard CAS: 6084-76-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6084-76-0
Multi CAS
Yes
Molecular Formula
C19H36O3
Molecular Weight
312.500000
Exact Mass
312.266445
InChI
InChI=1S/C19H36O3/c1-3-4-5-6-8-11-14-17-18(22-17)15-12-9-7-10-13-16-19(20)21-2/h17-18H,3-16H2,1-2H3
InChIKey
CAMHHLOGFDZBBG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.95
Rotatable bonds
15
H-bond acceptors
3
Molar refractivity
90.99
TPSA
38.83

LogP / Solubility

WLOGP
5.41
MLOGP
4.77
XLogP3
6.5
Consensus LogP
5.56
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.98
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.79

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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