CAS RN: 168281-05-8
3,5-Dimethoxy-3′-hydroxybibenzyl
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251010 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS168281-05-8
- Purity/Analytical Methods: >99.0%
168281-05-8 / 3-[2-(3,5-dimethoxyphenyl)ethyl]phenol
Basic Information
CAS
168281-05-8
Multi CAS
No
Molecular Formula
C16H18O3
Molecular Weight
258.310000
Exact Mass
258.125594
SMILES
COC1=CC(=CC(=C1)CCC2=CC(=CC=C2)O)OC
InChI
InChI=1S/C16H18O3/c1-18-15-9-13(10-16(11-15)19-2)7-6-12-4-3-5-14(17)8-12/h3-5,8-11,17H,6-7H2,1-2H3
InChIKey
WYGMXOJIXJXNRL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
75.06
TPSA
38.69
LogP / Solubility
WLOGP
3.19
MLOGP
2.82
XLogP3
3.7
Consensus LogP
3.24
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.59
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)
-2.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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