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CAS 57371-44-5 3-(4-(Benzyloxy)-3-Methoxyphenyl)propan-1-ol molecular structure lightbox
CAS RN: 57371-44-5

3-(4-(Benzyloxy)-3-Methoxyphenyl)propan-1-ol

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250525 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS57371-44-5
  • Purity/Analytical Methods: >99.0%
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57371-44-5 / 3-(3-methoxy-4-phenylmethoxyphenyl)propan-1-ol

Standard CAS: 57371-44-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
57371-44-5
Multi CAS
No
Molecular Formula
C17H20O3
Molecular Weight
272.340000
Exact Mass
272.141245
InChI
InChI=1S/C17H20O3/c1-19-17-12-14(8-5-11-18)9-10-16(17)20-13-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,18H,5,8,11,13H2,1H3
InChIKey
VEJWDVSLFQNNAN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
79.17
TPSA
38.69

LogP / Solubility

WLOGP
3.2
MLOGP
2.82
XLogP3
3.1
Consensus LogP
3.04
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.93
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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