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CAS 2601-90-3 N-OLEOYLGLYCINE molecular structure lightbox
CAS RN: 2601-90-3

N-OLEOYLGLYCINE

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250831 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20260118 1g In stock Shanghai Inquiry
Batchno.20251213 250mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250814 10mg / 50mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS2601-90-3
  • Purity/Analytical Methods: >99.0%
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2601-90-3 / 2-(octadec-9-enoylamino)acetic acid

Standard CAS: 2601-90-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2601-90-3
Multi CAS
No
Molecular Formula
C20H37NO3
Molecular Weight
339.500000
Exact Mass
339.277344
SMILES
CCCCCCCCC=CCCCCCCCC(=O)NCC(=O)O
InChI
InChI=1S/C20H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)21-18-20(23)24/h9-10H,2-8,11-18H2,1H3,(H,21,22)(H,23,24)
InChIKey
HPFXACZRFJDURI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.8
Rotatable bonds
17
H-bond acceptors
2
H-bond donors
2
Molar refractivity
100.1
TPSA
66.4

LogP / Solubility

WLOGP
5.22
MLOGP
4.61
XLogP3
6.6
Consensus LogP
5.48
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.24
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.08

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
2.5

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