CAS RN: 4378-43-2
4-Phosphonobutyric Acid
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-151849
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 | Shenzhen | Inquiry |
4378-43-2 / 4-phosphonobutanoic acid
Basic Information
CAS
4378-43-2
Multi CAS
Yes
Molecular Formula
C4H9O5P
Molecular Weight
168.080000
Exact Mass
168.018760
InChI
InChI=1S/C4H9O5P/c5-4(6)2-1-3-10(7,8)9/h1-3H2,(H,5,6)(H2,7,8,9)
InChIKey
UYRFPODVSLYSCO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.75
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
3
Molar refractivity
33.78
TPSA
94.83
LogP / Solubility
WLOGP
0.03
MLOGP
0.02
XLogP3
-1.7
Consensus LogP
-0.55
Log S (ESOL)
-0.64
Class (ESOL)
Very soluble
Log S (Ali)
-0.96
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.26
Class (SILICOS-IT)
Soluble
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)
-3.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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- CAS RN: 16839-13-7
- Product Code: ICTB5015
- Purity/Analytical method: >98.0%(HPLC)
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