CAS RN: 89197-69-3
DIBUTYL3-HYDROXYBUTYLPHOSPHATE
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.20250224 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS89197-69-3
- Purity/Analytical Methods: >99.0%
89197-69-3 / dibutyl 3-hydroxybutyl phosphate
Basic Information
CAS
89197-69-3
Multi CAS
Yes
Molecular Formula
C12H27O5P
Molecular Weight
282.310000
Exact Mass
282.159611
InChI
InChI=1S/C12H27O5P/c1-4-6-9-15-18(14,16-10-7-5-2)17-11-8-12(3)13/h12-13H,4-11H2,1-3H3
InChIKey
LJBNHONKIDIOPD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
1
Rotatable bonds
12
H-bond acceptors
5
H-bond donors
1
Molar refractivity
71.58
TPSA
64.99
LogP / Solubility
WLOGP
3.52
MLOGP
3.1
XLogP3
2.1
Consensus LogP
2.91
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.85
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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