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CAS 868666-20-0 3′,5′-Dimethoxybiphenyl-3-ol molecular structure lightbox
CAS RN: 868666-20-0

3′,5′-Dimethoxybiphenyl-3-ol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260426 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS868666-20-0
  • Purity/Analytical Methods: >99.0%
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868666-20-0 / 3-(3,5-dimethoxyphenyl)phenol

Standard CAS: 868666-20-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
868666-20-0
Multi CAS
No
Molecular Formula
C14H14O3
Molecular Weight
230.260000
Exact Mass
230.094294
InChI
InChI=1S/C14H14O3/c1-16-13-7-11(8-14(9-13)17-2)10-4-3-5-12(15)6-10/h3-9,15H,1-2H3
InChIKey
XXOINLOWOCJSGZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.65
TPSA
38.69

LogP / Solubility

WLOGP
3.08
MLOGP
2.71
XLogP3
3.1
Consensus LogP
2.96
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
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)
-1.94

Drug-likeness / Medicinal Chemistry

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

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