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CAS 2733-88-2 NERVONIC ACID METHYL ESTER molecular structure lightbox
CAS RN: 2733-88-2

NERVONIC ACID METHYL ESTER

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260121 100mg / 500mg / 1g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS2733-88-2
  • Purity/Analytical Methods: >99.0%
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2733-88-2 / methyl tetracos-15-enoate

Standard CAS: 2733-88-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
2733-88-2
Multi CAS
Yes
Molecular Formula
C25H48O2
Molecular Weight
380.600000
Exact Mass
380.365431
InChI
InChI=1S/C25H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-2/h10-11H,3-9,12-24H2,1-2H3/b11-10-
InChIKey
AINIZSBLAFHZCP-KHPPLWFESA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
0.88
Rotatable bonds
21
H-bond acceptors
2
Molar refractivity
119.17
TPSA
26.3

LogP / Solubility

WLOGP
8.54
MLOGP
7.53
XLogP3
10.8
Consensus LogP
8.96
Log S (ESOL)
-6.19
Class (ESOL)
Insoluble
Log S (Ali)
-8.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.74
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)
1.02

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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