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CAS 156453-53-1 (R)-α-[2-(1-naphthalenyloxy)ethyl]-benzeneMethanol molecular structure lightbox
CAS RN: 156453-53-1

(R)-α-[2-(1-naphthalenyloxy)ethyl]-benzeneMethanol

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250724 50mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: starshine_CAS156453-53-1
  • Purity/Analytical Methods: >99.0%
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156453-53-1 / (1R)-3-naphthalen-1-yloxy-1-phenylpropan-1-ol

Standard CAS: 156453-53-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
156453-53-1
Multi CAS
No
Molecular Formula
C19H18O2
Molecular Weight
278.300000
Exact Mass
278.130680
SMILES
C1=CC=C(C=C1)[C@@H](CCOC2=CC=CC3=CC=CC=C32)O
InChI
InChI=1S/C19H18O2/c20-18(16-8-2-1-3-9-16)13-14-21-19-12-6-10-15-7-4-5-11-17(15)19/h1-12,18,20H,13-14H2/t18-/m1/s1
InChIKey
VFVBVEMVTNQIMZ-GOSISDBHSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
16
Fraction Csp3
0.16
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
85.46
TPSA
29.46

LogP / Solubility

WLOGP
4.34
MLOGP
3.83
XLogP3
4.3
Consensus LogP
4.16
Log S (ESOL)
-4.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.67
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)
-1.33

Drug-likeness / Medicinal Chemistry

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

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