CAS RN: 17261-34-6
IMINO-BIS(METHYLPHOSPHONIC ACID)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250218 | 1g | In stock | Inquiry |
- Product code: starshine_CAS17261-34-6
- Purity/Analytical Methods: >99.0%
17261-34-6 / (phosphonomethylamino)methylphosphonic acid
Basic Information
CAS
17261-34-6
Multi CAS
No
Molecular Formula
C2H9NO6P2
Molecular Weight
205.040000
Exact Mass
204.990511
SMILES
C(NCP(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C2H9NO6P2/c4-10(5,6)1-3-2-11(7,8)9/h3H,1-2H2,(H2,4,5,6)(H2,7,8,9)
InChIKey
ISQSUCKLLKRTBZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
5
Molar refractivity
36.96
TPSA
127.09
LogP / Solubility
WLOGP
-1.15
MLOGP
-1.01
XLogP3
-5.9
Consensus LogP
-2.69
Log S (ESOL)
-0.12
Class (ESOL)
Very soluble
Log S (Ali)
-0.41
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.52
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.79
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Customers Also Viewed
-
COPPER(II) TARTRATE HYDRATE
- CAS RN: 17263-56-8
- Product Code: starshine_CAS17263-56-8
- Purity/Analytical method: >99.0%
-
-
-
-
1H-Pyrrolizin-1-one,2,3-dihydro-(6CI,7CI,8CI,9CI)
- CAS RN: 17266-64-7
- Product Code: SSC-075873
-
3-(dimethylamino)-N,N-dimethylpropionamide
- CAS RN: 17268-47-2
- Product Code: starshine_CAS17268-47-2
- Purity/Analytical method: >99.0%
![CAS 17266-30-7 5-CHLOROBENZO[B]THIOPHENE-3-ACETIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/17266-30-7.gif)
