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CAS 6186-98-7 11-cis Vaccenyl Acetate molecular structure lightbox
CAS RN: 6186-98-7

11-cis Vaccenyl Acetate

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250120 25mg In stock Shanghai Inquiry
Batchno.20250816 5mg In stock Shanghai, Shandong, Guangdong Inquiry
  • Product code: starshine_CAS6186-98-7
  • Purity/Analytical Methods: >99.0%
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6186-98-7 / octadec-11-enyl acetate

Standard CAS: 6186-98-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6186-98-7
Multi CAS
Yes
Molecular Formula
C20H38O2
Molecular Weight
310.500000
Exact Mass
310.287180
InChI
InChI=1S/C20H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h8-9H,3-7,10-19H2,1-2H3/b9-8-
InChIKey
QSZKEDWVAOAFQY-HJWRWDBZSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.85
Rotatable bonds
16
H-bond acceptors
2
Molar refractivity
96.09
TPSA
26.3

LogP / Solubility

WLOGP
6.59
MLOGP
5.81
XLogP3
7.9
Consensus LogP
6.77
Log S (ESOL)
-4.86
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.86
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.07
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
No
Log Kp (skin permeation)
0.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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