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CAS 10251-17-9 2-NAPHTHYL CAPRYLATE molecular structure lightbox
CAS RN: 10251-17-9

2-NAPHTHYL CAPRYLATE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260212 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS10251-17-9
  • Purity/Analytical Methods: >99.0%
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10251-17-9 / naphthalen-2-yl octanoate

2-Naphthyl caprylate | 2-Naphthyl octanoate | Octanoic acid, 2-naphthalenyl ester

Standard CAS: 10251-17-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
10251-17-9
Multi CAS
Yes
Molecular Formula
C18H22O2
Molecular Weight
270.400000
Exact Mass
270.161980
SMILES
CCCCCCCC(=O)OC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C18H22O2/c1-2-3-4-5-6-11-18(19)20-17-13-12-15-9-7-8-10-16(15)14-17/h7-10,12-14H,2-6,11H2,1H3
InChIKey
CXVZBUOSDMLXNK-UHFFFAOYSA-N
Synonyms
2-Naphthyl caprylate 2-Naphthyl octanoate Octanoic acid, 2-naphthalenyl ester beta-NAPHTHYL CAPRYLATE 2-Naphthalenyl octanoate

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
10
Fraction Csp3
0.39
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
82.96
TPSA
26.3

LogP / Solubility

WLOGP
5.11
MLOGP
4.5
XLogP3
5.7
Consensus LogP
5.1
Log S (ESOL)
-4.64
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.5
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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