CAS RN: 15541-60-3
Melamine Pyrophosphate
Product Availability
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3 package records0 with current stock1 grade group
- Product code: starshine_CAS15541-60-3
- Purity/Analytical Methods: >99.0%
15541-60-3 / phosphono dihydrogen phosphate;1,3,5-triazine-2,4,6-triamine
Basic Information
CAS
15541-60-3
Multi CAS
No
Molecular Formula
C3H10N6O7P2
Molecular Weight
304.100000
Exact Mass
304.008621
SMILES
C1(=NC(=NC(=N1)N)N)N.OP(=O)(O)OP(=O)(O)O
InChI
InChI=1S/C3H6N6.H4O7P2/c4-1-7-2(5)9-3(6)8-1;1-8(2,3)7-9(4,5)6/h(H6,4,5,6,7,8,9);(H2,1,2,3)(H2,4,5,6)
InChIKey
XZTOTRSSGPPNTB-UHFFFAOYSA-N
Physical Properties
Physical Description
Dry Powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
9
H-bond donors
7
Molar refractivity
58.24
TPSA
241.02
LogP / Solubility
WLOGP
-2.19
MLOGP
-1.92
XLogP3
-2.19
Consensus LogP
-2.1
Log S (ESOL)
-0.46
Class (ESOL)
Very soluble
Log S (Ali)
-0.47
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.06
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)
-6.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Health Hazard
Signal
Warning
GHS Hazard Statements
H319 (10%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H373 (10%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
H412 (10%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P260, P264+P265, P273, P280, P305+P351+P338, P319, P337+P317, and P501
P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501
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