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CAS 127833-53-8 1-[4-(2-Phenylethyl)benzyl]naphthalene molecular structure lightbox
CAS RN: 127833-53-8

1-[4-(2-Phenylethyl)benzyl]naphthalene

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250314 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-035231
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 127833-53-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Hong Kong Inquiry

127833-53-8 / 1-[[4-(2-phenylethyl)phenyl]methyl]naphthalene

Standard CAS: 127833-53-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
127833-53-8
Multi CAS
No
Molecular Formula
C25H22
Molecular Weight
322.400000
Exact Mass
322.172151
SMILES
C1=CC=C(C=C1)CCC2=CC=C(C=C2)CC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C25H22/c1-2-7-20(8-3-1)13-14-21-15-17-22(18-16-21)19-24-11-6-10-23-9-4-5-12-25(23)24/h1-12,15-18H,13-14,19H2
InChIKey
UKRRCRMJNMWWMZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
22
Fraction Csp3
0.12
Rotatable bonds
5
Molar refractivity
107.05
TPSA
0.0000

LogP / Solubility

WLOGP
6.22
MLOGP
5.48
XLogP3
7.7
Consensus LogP
6.47
Log S (ESOL)
-6.08
Class (ESOL)
Insoluble
Log S (Ali)
-6.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.52
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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