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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
69039-85-6 / 3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
Basic Information
CAS
69039-85-6
Multi CAS
No
Molecular Formula
C21H44O8
Molecular Weight
424.600000
Exact Mass
424.303618
InChI
InChI=1S/C21H44O8/c22-8-1-10-24-12-3-14-26-16-5-18-28-20-7-21-29-19-6-17-27-15-4-13-25-11-2-9-23/h22-23H,1-21H2
InChIKey
ZXNHADCMNAJIFL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Fraction Csp3
1
Rotatable bonds
26
H-bond acceptors
8
H-bond donors
2
Molar refractivity
111.4
TPSA
95.84
LogP / Solubility
WLOGP
1.8
MLOGP
1.61
XLogP3
0.5
Consensus LogP
1.3
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.03
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
![CAS 69048-76-6 (6-iodobenzo[1,3]dioxol-5-yl)methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/69048-76-6.gif)
