[email protected]
CAS 2605-18-7 1-METHOXY-4-(1-PHENYL-ETHYL)-BENZENE molecular structure lightbox
CAS RN: 2605-18-7

1-METHOXY-4-(1-PHENYL-ETHYL)-BENZENE

Product Availability

Choose a grade to view its available package options.

4 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260112 100mg Out of stock Inquiry
Batchno.20260521 1g Out of stock Inquiry
Batchno.20260328 250mg Out of stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251203 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS2605-18-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

2605-18-7 / 1-methoxy-4-(1-phenylethyl)benzene

Standard CAS: 2605-18-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2605-18-7
Multi CAS
No
Molecular Formula
C15H16O
Molecular Weight
212.290000
Exact Mass
212.120115
SMILES
CC(C1=CC=CC=C1)C2=CC=C(C=C2)OC
InChI
InChI=1S/C15H16O/c1-12(13-6-4-3-5-7-13)14-8-10-15(16-2)11-9-14/h3-12H,1-2H3
InChIKey
JMOKUPRAECXBIE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
66.95
TPSA
9.23

LogP / Solubility

WLOGP
3.85
MLOGP
3.39
XLogP3
4.5
Consensus LogP
3.91
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.59
Class (SILICOS-IT)
Slightly soluble

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)
-1.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us