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 | Hong Kong | Inquiry |
7057-92-3 / didodecyl hydrogen phosphate
Basic Information
CAS
7057-92-3
Multi CAS
Yes
Molecular Formula
C24H51O4P
Molecular Weight
434.600000
Exact Mass
434.352497
InChI
InChI=1S/C24H51O4P/c1-3-5-7-9-11-13-15-17-19-21-23-27-29(25,26)28-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H,25,26)
InChIKey
JTXUVYOABGUBMX-UHFFFAOYSA-N
Physical Properties
Melting Point
59 °C
Physical Description
Solid; mp = 59 deg C; [HSDB] Liquid
Appearance
Crystals (methanol)
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
29
Fraction Csp3
1
Rotatable bonds
24
H-bond acceptors
3
H-bond donors
1
Molar refractivity
125.42
TPSA
55.76
LogP / Solubility
WLOGP
8.96
MLOGP
7.91
XLogP3
10.2
Consensus LogP
9.02
Log S (ESOL)
-6.6
Class (ESOL)
Insoluble
Log S (Ali)
-9.59
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.8
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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