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CAS 57637-97-5 N-ACETYLAMINOMETHYLPHOSPHONATE molecular structure lightbox
CAS RN: 57637-97-5

N-ACETYLAMINOMETHYLPHOSPHONATE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260105 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS57637-97-5
  • Purity/Analytical Methods: >99.0%
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57637-97-5 / acetamidomethylphosphonic acid

Standard CAS: 57637-97-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
57637-97-5
Multi CAS
Yes
Molecular Formula
C3H8NO4P
Molecular Weight
153.070000
Exact Mass
153.019095
InChI
InChI=1S/C3H8NO4P/c1-3(5)4-2-9(6,7)8/h2H2,1H3,(H,4,5)(H2,6,7,8)
InChIKey
FDNUAHPLMXZWLS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
3
Molar refractivity
30.73
TPSA
86.63

LogP / Solubility

WLOGP
-0.74
MLOGP
-0.66
XLogP3
-2.2
Consensus LogP
-1.2
Log S (ESOL)
-0.19
Class (ESOL)
Very soluble
Log S (Ali)
-0.28
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.28
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)
-4.18

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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