Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
7382-59-4 / 4-[1-hydroxy-2-(hydroxymethoxy)-2-(2-methoxyphenyl)ethyl]-2-methoxyphenol
Basic Information
CAS
7382-59-4
Multi CAS
Yes
Molecular Formula
C17H20O6
Molecular Weight
320.300000
Exact Mass
320.125988
InChI
InChI=1S/C17H20O6/c1-21-14-6-4-3-5-12(14)17(23-10-18)16(20)11-7-8-13(19)15(9-11)22-2/h3-9,16-20H,10H2,1-2H3
InChIKey
COXIJIHARCXZBW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
3
Molar refractivity
83.52
TPSA
88.38
LogP / Solubility
WLOGP
2.15
MLOGP
1.91
XLogP3
1.5
Consensus LogP
1.85
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.37
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)
-3.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5
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1,2-Bis(4-methylphenyl)-1,2-diphenyl-1,2-ethanediol
- CAS RN: 808-12-8
- Product Code: SSC-189447
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