CAS RN: 4671-82-3
1,3-Propylenediphosphonic Acid
Product Availability
Choose a grade to view its available package options.
4 package records1 with current stock1 grade group
- Product code: SSC-153954
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 |
4671-82-3 / 3-phosphonopropylphosphonic acid
Basic Information
CAS
4671-82-3
Multi CAS
Yes
Molecular Formula
C3H10O6P2
Molecular Weight
204.060000
Exact Mass
203.995262
InChI
InChI=1S/C3H10O6P2/c4-10(5,6)2-1-3-11(7,8)9/h1-3H2,(H2,4,5,6)(H2,7,8,9)
InChIKey
PUVMVPFLXCHEOY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
4
Molar refractivity
38.44
TPSA
115.06
LogP / Solubility
WLOGP
-0.27
MLOGP
-0.24
XLogP3
-3.1
Consensus LogP
-1.2
Log S (ESOL)
-0.67
Class (ESOL)
Very soluble
Log S (Ali)
-1.04
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.24
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)
-4.16
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
